3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-piperidin-3-ylpropan-1-amine

C24H30N2S — CID 118205577

IUPAC3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-piperidin-3-ylpropan-1-amine
SMILESCN(CCC(c1cc2ccccc2s1)C1CCCNC1)Cc1ccccc1
InChIInChI=1S/C24H30N2S/c1-26(18-19-8-3-2-4-9-19)15-13-22(21-11-7-14-25-17-21)24-16-20-10-5-6-12-23(20)27-24/h2-6,8-10,12,16,21-22,25H,7,11,13-15,17-18H2,1H3
InChIKeyNAFLUAQRPWLBES-UHFFFAOYSA-N
MW378.58 g/mol
LogP5.51
Rot. Bonds7

About 3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-piperidin-3-ylpropan-1-amine

3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-piperidin-3-ylpropan-1-amine (PubChem CID 118205577) has the molecular formula C24H30N2S and a molecular weight of 378.58 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-piperidin-3-ylpropan-1-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-piperidin-3-ylpropan-1-amine
PubChem CID118205577
Molecular FormulaC24H30N2S
Molecular Weight378.58 g/mol
Exact Mass378.21
IUPAC Name3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-piperidin-3-ylpropan-1-amine
SMILESCN(CCC(c1cc2ccccc2s1)C1CCCNC1)Cc1ccccc1
InChIInChI=1S/C24H30N2S/c1-26(18-19-8-3-2-4-9-19)15-13-22(21-11-7-14-25-17-21)24-16-20-10-5-6-12-23(20)27-24/h2-6,8-10,12,16,21-22,25H,7,11,13-15,17-18H2,1H3
InChIKeyNAFLUAQRPWLBES-UHFFFAOYSA-N
XLogP5.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.58
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-piperidin-3-ylpropan-1-amine with MolForge

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Related Compounds

N-benzyl-N-ethyl-3-piperidin-3-ylbutan-1-amine
CID 81043704
N-[(2-bromophenyl)methyl]-N-methyl-3-piperidin-3-ylbutan-1-amine
CID 81044635
N-methyl-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 81043974
N'-benzyl-N'-methyl-N-(piperidin-3-ylmethyl)propane-1,3-diamine
CID 80553136
(3R)-N-benzyl-N-propan-2-ylpiperidin-3-amine
CID 66569420
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide
CID 119719387
3-(1-fluoro-3-phenylpropyl)piperidine
CID 83855350
N-methyl-N-(naphthalen-2-ylmethyl)-3-piperidin-3-ylbutanamide
CID 119687832
N-methyl-2-phenyl-N-[[4-(piperidin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 118759688
2-phenyl-N-(1-piperidin-3-ylethyl)ethanesulfonamide;hydrochloride
CID 119970304
N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 56831736
3-fluoro-N-methyl-N-(3-piperidin-3-ylbutyl)aniline
CID 81045794

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-piperidin-3-ylpropan-1-amine?
The IUPAC name of 3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-piperidin-3-ylpropan-1-amine (CID 118205577) is 3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-piperidin-3-ylpropan-1-amine.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-piperidin-3-ylpropan-1-amine?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-piperidin-3-ylpropan-1-amine is CN(CCC(c1cc2ccccc2s1)C1CCCNC1)Cc1ccccc1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-piperidin-3-ylpropan-1-amine?
The InChIKey is NAFLUAQRPWLBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2S/c1-26(18-19-8-3-2-4-9-19)15-13-22(21-11-7-14-25-17-21)24-16-20-10-5-6-12-23(20)27-24/h2-6,8-10,12,16,21-22,25H,7,11,13-15,17-18H2,1H3.
What are the key properties of 3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-piperidin-3-ylpropan-1-amine?
3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-piperidin-3-ylpropan-1-amine has a molecular weight of 378.58 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-piperidin-3-ylpropan-1-amine is sourced from PubChem (CID 118205577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).