N-(1-benzothiophen-5-yl)-N-(oxan-4-ylmethyl)piperidin-4-amine;N-[(3-fluorophenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;N-[(3-methoxyphenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;3-[[(1-methylindol-5-yl)-piperidin-4-ylamino]methyl]benzenesulfonamide

C83H103FN12O4S2 — CID 157157698

IUPACN-(1-benzothiophen-5-yl)-N-(oxan-4-ylmethyl)piperidin-4-amine;N-[(3-fluorophenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;N-[(3-methoxyphenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;3-[[(1-methylindol-5-yl)-piperidin-4-ylamino]methyl]benzenesulfonamide
SMILESCOc1cccc(CN(c2ccc3c(ccn3C)c2)C2CCNCC2)c1.Cn1ccc2cc(N(Cc3cccc(F)c3)C3CCNCC3)ccc21.Cn1ccc2cc(N(Cc3cccc(S(N)(=O)=O)c3)C3CCNCC3)ccc21.c1cc2cc(N(CC3CCOCC3)C3CCNCC3)ccc2s1
InChIInChI=1S/C22H27N3O.C21H24FN3.C21H26N4O2S.C19H26N2OS/c1-24-13-10-18-15-20(6-7-22(18)24)25(19-8-11-23-12-9-19)16-17-4-3-5-21(14-17)26-2;1-24-12-9-17-14-20(5-6-21(17)24)25(19-7-10-23-11-8-19)15-16-3-2-4-18(22)13-16;1-24-12-9-17-14-19(5-6-21(17)24)25(18-7-10-23-11-8-18)15-16-3-2-4-20(13-16)28(22,26)27;1-2-19-16(7-12-23-19)13-18(1)21(17-3-8-20-9-4-17)14-15-5-10-22-11-6-15/h3-7,10,13-15,19,23H,8-9,11-12,16H2,1-2H3;2-6,9,12-14,19,23H,7-8,10-11,15H2,1H3;2-6,9,12-14,18,23H,7-8,10-11,15H2,1H3,(H2,22,26,27);1-2,7,12-13,15,17,20H,3-6,8-11,14H2
InChIKeyALZWRPOIFJDGSE-UHFFFAOYSA-N
MW1415.95 g/mol
LogP14.49
Rot. Bonds18

About N-(1-benzothiophen-5-yl)-N-(oxan-4-ylmethyl)piperidin-4-amine;N-[(3-fluorophenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;N-[(3-methoxyphenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;3-[[(1-methylindol-5-yl)-piperidin-4-ylamino]methyl]benzenesulfonamide

N-(1-benzothiophen-5-yl)-N-(oxan-4-ylmethyl)piperidin-4-amine;N-[(3-fluorophenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;N-[(3-methoxyphenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;3-[[(1-methylindol-5-yl)-piperidin-4-ylamino]methyl]benzenesulfonamide (PubChem CID 157157698) has the molecular formula C83H103FN12O4S2 and a molecular weight of 1415.95 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-N-(oxan-4-ylmethyl)piperidin-4-amine;N-[(3-fluorophenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;N-[(3-methoxyphenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;3-[[(1-methylindol-5-yl)-piperidin-4-ylamino]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-N-(oxan-4-ylmethyl)piperidin-4-amine;N-[(3-fluorophenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;N-[(3-methoxyphenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;3-[[(1-methylindol-5-yl)-piperidin-4-ylamino]methyl]benzenesulfonamide
PubChem CID157157698
Molecular FormulaC83H103FN12O4S2
Molecular Weight1415.95 g/mol
Exact Mass1414.77
IUPAC NameN-(1-benzothiophen-5-yl)-N-(oxan-4-ylmethyl)piperidin-4-amine;N-[(3-fluorophenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;N-[(3-methoxyphenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;3-[[(1-methylindol-5-yl)-piperidin-4-ylamino]methyl]benzenesulfonamide
SMILESCOc1cccc(CN(c2ccc3c(ccn3C)c2)C2CCNCC2)c1.Cn1ccc2cc(N(Cc3cccc(F)c3)C3CCNCC3)ccc21.Cn1ccc2cc(N(Cc3cccc(S(N)(=O)=O)c3)C3CCNCC3)ccc21.c1cc2cc(N(CC3CCOCC3)C3CCNCC3)ccc2s1
InChIInChI=1S/C22H27N3O.C21H24FN3.C21H26N4O2S.C19H26N2OS/c1-24-13-10-18-15-20(6-7-22(18)24)25(19-8-11-23-12-9-19)16-17-4-3-5-21(14-17)26-2;1-24-12-9-17-14-20(5-6-21(17)24)25(19-7-10-23-11-8-19)15-16-3-2-4-18(22)13-16;1-24-12-9-17-14-19(5-6-21(17)24)25(18-7-10-23-11-8-18)15-16-3-2-4-20(13-16)28(22,26)27;1-2-19-16(7-12-23-19)13-18(1)21(17-3-8-20-9-4-17)14-15-5-10-22-11-6-15/h3-7,10,13-15,19,23H,8-9,11-12,16H2,1-2H3;2-6,9,12-14,19,23H,7-8,10-11,15H2,1H3;2-6,9,12-14,18,23H,7-8,10-11,15H2,1H3,(H2,22,26,27);1-2,7,12-13,15,17,20H,3-6,8-11,14H2
InChIKeyALZWRPOIFJDGSE-UHFFFAOYSA-N
XLogP14.49
TPSA154.49 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001415.95
LogP ≤ 514.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze N-(1-benzothiophen-5-yl)-N-(oxan-4-ylmethyl)piperidin-4-amine;N-[(3-fluorophenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;N-[(3-methoxyphenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;3-[[(1-methylindol-5-yl)-piperidin-4-ylamino]methyl]benzenesulfonamide with MolForge

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Related Compounds

N-(1-benzothiophen-5-yl)-N-(cyclopropylmethyl)piperidin-4-amine;N-(1-benzothiophen-5-yl)-N-(naphthalen-1-ylmethyl)piperidin-4-amine;N-(1-benzothiophen-5-yl)-N-(naphthalen-2-ylmethyl)piperidin-4-amine;N-[(3-fluorophenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine;N-[(4-fluorophenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine;N-piperidin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indol-5-amine
CID 161886813
N-(1-benzothiophen-5-yl)-N-(naphthalen-1-ylmethyl)piperidin-4-amine;2-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile;3-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile;N-[(3-methoxyphenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine;N-[(2-methylphenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine
CID 158297868
3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzenesulfonamide;N-[3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]phenyl]methanesulfonamide;N-[(3-fluorophenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;3-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzamide;N-[(3-methoxyphenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine
CID 160055966

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-N-(oxan-4-ylmethyl)piperidin-4-amine;N-[(3-fluorophenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;N-[(3-methoxyphenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;3-[[(1-methylindol-5-yl)-piperidin-4-ylamino]methyl]benzenesulfonamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-N-(oxan-4-ylmethyl)piperidin-4-amine;N-[(3-fluorophenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;N-[(3-methoxyphenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;3-[[(1-methylindol-5-yl)-piperidin-4-ylamino]methyl]benzenesulfonamide (CID 157157698) is N-(1-benzothiophen-5-yl)-N-(oxan-4-ylmethyl)piperidin-4-amine;N-[(3-fluorophenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;N-[(3-methoxyphenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;3-[[(1-methylindol-5-yl)-piperidin-4-ylamino]methyl]benzenesulfonamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-N-(oxan-4-ylmethyl)piperidin-4-amine;N-[(3-fluorophenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;N-[(3-methoxyphenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;3-[[(1-methylindol-5-yl)-piperidin-4-ylamino]methyl]benzenesulfonamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-N-(oxan-4-ylmethyl)piperidin-4-amine;N-[(3-fluorophenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;N-[(3-methoxyphenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;3-[[(1-methylindol-5-yl)-piperidin-4-ylamino]methyl]benzenesulfonamide is COc1cccc(CN(c2ccc3c(ccn3C)c2)C2CCNCC2)c1.Cn1ccc2cc(N(Cc3cccc(F)c3)C3CCNCC3)ccc21.Cn1ccc2cc(N(Cc3cccc(S(N)(=O)=O)c3)C3CCNCC3)ccc21.c1cc2cc(N(CC3CCOCC3)C3CCNCC3)ccc2s1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-N-(oxan-4-ylmethyl)piperidin-4-amine;N-[(3-fluorophenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;N-[(3-methoxyphenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;3-[[(1-methylindol-5-yl)-piperidin-4-ylamino]methyl]benzenesulfonamide?
The InChIKey is ALZWRPOIFJDGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O.C21H24FN3.C21H26N4O2S.C19H26N2OS/c1-24-13-10-18-15-20(6-7-22(18)24)25(19-8-11-23-12-9-19)16-17-4-3-5-21(14-17)26-2;1-24-12-9-17-14-20(5-6-21(17)24)25(19-7-10-23-11-8-19)15-16-3-2-4-18(22)13-16;1-24-12-9-17-14-19(5-6-21(17)24)25(18-7-10-23-11-8-18)15-16-3-2-4-20(13-16)28(22,26)27;1-2-19-16(7-12-23-19)13-18(1)21(17-3-8-20-9-4-17)14-15-5-10-22-11-6-15/h3-7,10,13-15,19,23H,8-9,11-12,16H2,1-2H3;2-6,9,12-14,19,23H,7-8,10-11,15H2,1H3;2-6,9,12-14,18,23H,7-8,10-11,15H2,1H3,(H2,22,26,27);1-2,7,12-13,15,17,20H,3-6,8-11,14H2.
What are the key properties of N-(1-benzothiophen-5-yl)-N-(oxan-4-ylmethyl)piperidin-4-amine;N-[(3-fluorophenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;N-[(3-methoxyphenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;3-[[(1-methylindol-5-yl)-piperidin-4-ylamino]methyl]benzenesulfonamide?
N-(1-benzothiophen-5-yl)-N-(oxan-4-ylmethyl)piperidin-4-amine;N-[(3-fluorophenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;N-[(3-methoxyphenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;3-[[(1-methylindol-5-yl)-piperidin-4-ylamino]methyl]benzenesulfonamide has a molecular weight of 1415.95 g/mol, XLogP of 14.49, 18 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-N-(oxan-4-ylmethyl)piperidin-4-amine;N-[(3-fluorophenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;N-[(3-methoxyphenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;3-[[(1-methylindol-5-yl)-piperidin-4-ylamino]methyl]benzenesulfonamide is sourced from PubChem (CID 157157698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).