1-[4-[(5-methyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone

C16H21N3O — CID 141340761

IUPAC1-[4-[(5-methyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2cc(C)cc3cc[nH]c23)CC1
InChIInChI=1S/C16H21N3O/c1-11-9-13-3-6-17-16(13)15(10-11)18-14-4-7-19(8-5-14)12(2)20/h3,6,9-10,14,17-18H,4-5,7-8H2,1-2H3
InChIKeyXEXPNVZJZXLAKN-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.90
Rot. Bonds2

About 1-[4-[(5-methyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone

1-[4-[(5-methyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone (PubChem CID 141340761) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[4-[(5-methyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-methyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone
PubChem CID141340761
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[4-[(5-methyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2cc(C)cc3cc[nH]c23)CC1
InChIInChI=1S/C16H21N3O/c1-11-9-13-3-6-17-16(13)15(10-11)18-14-4-7-19(8-5-14)12(2)20/h3,6,9-10,14,17-18H,4-5,7-8H2,1-2H3
InChIKeyXEXPNVZJZXLAKN-UHFFFAOYSA-N
XLogP2.90
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-chloro-4-methylanilino)piperidin-1-yl]ethanone
CID 43772607
1-[4-(4-methylanilino)piperidin-1-yl]ethanone
CID 5307205
ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone
CID 144655325
4-(2,5-dimethylanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83236467
1-[4-[[2-(dimethylamino)-6-methyl-3-pyridinyl]amino]piperidin-1-yl]ethanone
CID 75445155
N-cyclohexyl-5-methyl-1H-indole-7-carboxamide
CID 137382767
2-[2-[7-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-5-methyl-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]acetic acid
CID 25196360
1-[4-(4-methyl-2-propoxyanilino)piperidin-1-yl]ethanone
CID 60935911
1-[4-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)amino]piperidin-1-yl]ethanone
CID 95813797
1-acetyl-N-(1H-indol-5-yl)piperidine-4-carboxamide
CID 110744988
1-[4-(2,3-dichloroanilino)piperidin-1-yl]ethanone
CID 43772128
1-[4-(4-fluoro-3-methylanilino)piperidin-1-yl]ethanone
CID 62810559

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-methyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(5-methyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone (CID 141340761) is 1-[4-[(5-methyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(5-methyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(5-methyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2cc(C)cc3cc[nH]c23)CC1.
What is the InChIKey of 1-[4-[(5-methyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is XEXPNVZJZXLAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-9-13-3-6-17-16(13)15(10-11)18-14-4-7-19(8-5-14)12(2)20/h3,6,9-10,14,17-18H,4-5,7-8H2,1-2H3.
What are the key properties of 1-[4-[(5-methyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone?
1-[4-[(5-methyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 271.36 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-methyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 141340761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).