1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-(methylaminomethyl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-4-(methylaminomethyl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N-methylmethanamine

C81H111N15O7S2 — CID 157272117

IUPAC1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-(methylaminomethyl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-4-(methylaminomethyl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N-methylmethanamine
SMILESCC(=O)N1CCC(c2c[nH]c3ccccc23)CC1CN.CNCC1(c2c[nH]c3ccccc23)CCN(C(C)=O)CC1.CNCC1(c2c[nH]c3ccccc23)CCN(S(C)(=O)=O)CC1.CNCC1CC(c2c[nH]c3ccccc23)CCN1C(C)=O.CS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1CN
InChIInChI=1S/2C17H23N3O.C16H23N3O2S.C16H21N3O.C15H21N3O2S/c1-13(21)20-9-7-17(8-10-20,12-18-2)15-11-19-16-6-4-3-5-14(15)16;1-12(21)20-8-7-13(9-14(20)10-18-2)16-11-19-17-6-4-3-5-15(16)17;1-17-12-16(7-9-19(10-8-16)22(2,20)21)14-11-18-15-6-4-3-5-13(14)15;1-11(20)19-7-6-12(8-13(19)9-17)15-10-18-16-5-3-2-4-14(15)16;1-21(19,20)18-7-6-11(8-12(18)9-16)14-10-17-15-5-3-2-4-13(14)15/h3-6,11,18-19H,7-10,12H2,1-2H3;3-6,11,13-14,18-19H,7-10H2,1-2H3;3-6,11,17-18H,7-10,12H2,1-2H3;2-5,10,12-13,18H,6-9,17H2,1H3;2-5,10-12,17H,6-9,16H2,1H3
InChIKeyAYQXLKZAOKLGRK-UHFFFAOYSA-N
MW1471.01 g/mol
LogP10.28
Rot. Bonds15

About 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-(methylaminomethyl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-4-(methylaminomethyl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N-methylmethanamine

1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-(methylaminomethyl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-4-(methylaminomethyl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N-methylmethanamine (PubChem CID 157272117) has the molecular formula C81H111N15O7S2 and a molecular weight of 1471.01 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-(methylaminomethyl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-4-(methylaminomethyl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-(methylaminomethyl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-4-(methylaminomethyl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N-methylmethanamine
PubChem CID157272117
Molecular FormulaC81H111N15O7S2
Molecular Weight1471.01 g/mol
Exact Mass1469.82
IUPAC Name1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-(methylaminomethyl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-4-(methylaminomethyl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N-methylmethanamine
SMILESCC(=O)N1CCC(c2c[nH]c3ccccc23)CC1CN.CNCC1(c2c[nH]c3ccccc23)CCN(C(C)=O)CC1.CNCC1(c2c[nH]c3ccccc23)CCN(S(C)(=O)=O)CC1.CNCC1CC(c2c[nH]c3ccccc23)CCN1C(C)=O.CS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1CN
InChIInChI=1S/2C17H23N3O.C16H23N3O2S.C16H21N3O.C15H21N3O2S/c1-13(21)20-9-7-17(8-10-20,12-18-2)15-11-19-16-6-4-3-5-14(15)16;1-12(21)20-8-7-13(9-14(20)10-18-2)16-11-19-17-6-4-3-5-15(16)17;1-17-12-16(7-9-19(10-8-16)22(2,20)21)14-11-18-15-6-4-3-5-13(14)15;1-11(20)19-7-6-12(8-13(19)9-17)15-10-18-16-5-3-2-4-14(15)16;1-21(19,20)18-7-6-11(8-12(18)9-16)14-10-17-15-5-3-2-4-13(14)15/h3-6,11,18-19H,7-10,12H2,1-2H3;3-6,11,13-14,18-19H,7-10H2,1-2H3;3-6,11,17-18H,7-10,12H2,1-2H3;2-5,10,12-13,18H,6-9,17H2,1H3;2-5,10-12,17H,6-9,16H2,1H3
InChIKeyAYQXLKZAOKLGRK-UHFFFAOYSA-N
XLogP10.28
TPSA302.77 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001471.01
LogP ≤ 510.28
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

Analyze 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-(methylaminomethyl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-4-(methylaminomethyl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 134145808
CID 134145808
(7S,10R,13S,16R,19S,22R,25S,28R,31S,34R,37S,40R,43S,49S,60S,63R,66S,69R,72S,75R,78S,81R,84S,87R,90S,93R,96S,102S)-7,13,19,25,60,66,72,78-octakis(1H-indol-3-ylmethyl)-37,43,90,96-tetramethyl-10,16,22,40,63,69,75,93-octakis(2-methylpropyl)-28,31,34,49,81,84,87,102-octa(propan-2-yl)-1,2,54,55-tetrathia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,58,61,64,67,70,73,76,79,82,85,88,91,94,97,100,103-dotriacontazacyclohexahectane-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101,104-dotriacontone
CID 134139429
Ilpwkwpwwpwpp-NH2
CID 16197752
Lpwkwpwwpwpp-NH2
CID 16197753
Ilpwkwpwwpwp-NH2
CID 16197754
Ilawkwawwawpp-NH2
CID 16197757
(Ilpwkwpwwpwpp)2K-NH2
CID 44395610
H-D-aIle-D-Leu-D-Pro-D-Trp-D-Lys-D-Trp-D-Pro-D-Trp-D-Trp-D-Pro-D-Trp-D-Pro-D-Pro-DL-Lys(1)-NH2.H-D-aIle-D-Leu-D-Pro-D-Trp-D-Lys-D-Trp-D-Pro-D-Trp-D-Trp-D-Pro-D-Trp-D-Pro-D-Pro-(1)
CID 44395611
Ilpwgwpwwpwpp-NH2
CID 16197755
(3S)-2-[(2S)-2-[[2-[[(1S)-2-[(3S)-2-[(2S)-2-[[2-[[(1S)-2-[(3S)-2-[(2S)-2-[[2-[[(1S)-2-[(3S)-2-[(2S)-2-[(2-acetamidoacetyl)amino]-3-phenylpropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-1-carbonyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-1-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-1-carbonyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]-N-[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 73354247
(7S,10R,13S,16R,19S,22R,25S,28R,31S,34R,37S,40R,43S,49S,60S,66S,69R,72S,75R,78S,81R,84S,87R,90S,93R,96S,99R,102S)-7,13,19,25,84,90,96,102-octakis(1H-indol-3-ylmethyl)-37,43,66,72-tetramethyl-10,16,22,40,69,87,93,99-octakis(2-methylpropyl)-28,31,34,49,60,75,78,81-octa(propan-2-yl)-1,2,54,55-tetrathia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101,104-dotriacontazacyclohexahectane-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,58,61,64,67,70,73,76,79,82,85,88,91,94,97,100,103-dotriacontone
CID 134148512
[NH2-Ile-Leu-Pro-Trp-Lys-Trp-Pro-Trp-Trp-Pro-Trp-Pro-Pro]2-Lys-NH2
CID 16197758

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-(methylaminomethyl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-4-(methylaminomethyl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-(methylaminomethyl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-4-(methylaminomethyl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N-methylmethanamine (CID 157272117) is 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-(methylaminomethyl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-4-(methylaminomethyl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-(methylaminomethyl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-4-(methylaminomethyl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-(methylaminomethyl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-4-(methylaminomethyl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N-methylmethanamine is CC(=O)N1CCC(c2c[nH]c3ccccc23)CC1CN.CNCC1(c2c[nH]c3ccccc23)CCN(C(C)=O)CC1.CNCC1(c2c[nH]c3ccccc23)CCN(S(C)(=O)=O)CC1.CNCC1CC(c2c[nH]c3ccccc23)CCN1C(C)=O.CS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1CN.
What is the InChIKey of 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-(methylaminomethyl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-4-(methylaminomethyl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N-methylmethanamine?
The InChIKey is AYQXLKZAOKLGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H23N3O.C16H23N3O2S.C16H21N3O.C15H21N3O2S/c1-13(21)20-9-7-17(8-10-20,12-18-2)15-11-19-16-6-4-3-5-14(15)16;1-12(21)20-8-7-13(9-14(20)10-18-2)16-11-19-17-6-4-3-5-15(16)17;1-17-12-16(7-9-19(10-8-16)22(2,20)21)14-11-18-15-6-4-3-5-13(14)15;1-11(20)19-7-6-12(8-13(19)9-17)15-10-18-16-5-3-2-4-14(15)16;1-21(19,20)18-7-6-11(8-12(18)9-16)14-10-17-15-5-3-2-4-13(14)15/h3-6,11,18-19H,7-10,12H2,1-2H3;3-6,11,13-14,18-19H,7-10H2,1-2H3;3-6,11,17-18H,7-10,12H2,1-2H3;2-5,10,12-13,18H,6-9,17H2,1H3;2-5,10-12,17H,6-9,16H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-(methylaminomethyl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-4-(methylaminomethyl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N-methylmethanamine?
1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-(methylaminomethyl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-4-(methylaminomethyl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N-methylmethanamine has a molecular weight of 1471.01 g/mol, XLogP of 10.28, 15 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-(methylaminomethyl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-4-(methylaminomethyl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 157272117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).