1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide

C24H33N3OS — CID 49214275

IUPAC1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide
SMILESO=C(NCC1CCCN(Cc2cccs2)C1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C24H33N3OS/c28-24(22-10-5-13-26(18-22)16-20-7-2-1-3-8-20)25-15-21-9-4-12-27(17-21)19-23-11-6-14-29-23/h1-3,6-8,11,14,21-22H,4-5,9-10,12-13,15-19H2,(H,25,28)
InChIKeyZUHRIOFBCWDMPL-UHFFFAOYSA-N
MW411.62 g/mol
LogP3.99
Rot. Bonds7

About 1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide

1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide (PubChem CID 49214275) has the molecular formula C24H33N3OS and a molecular weight of 411.62 g/mol. Its IUPAC name is 1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide
PubChem CID49214275
Molecular FormulaC24H33N3OS
Molecular Weight411.62 g/mol
Exact Mass411.23
IUPAC Name1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide
SMILESO=C(NCC1CCCN(Cc2cccs2)C1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C24H33N3OS/c28-24(22-10-5-13-26(18-22)16-20-7-2-1-3-8-20)25-15-21-9-4-12-27(17-21)19-23-11-6-14-29-23/h1-3,6-8,11,14,21-22H,4-5,9-10,12-13,15-19H2,(H,25,28)
InChIKeyZUHRIOFBCWDMPL-UHFFFAOYSA-N
XLogP3.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.62
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide 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

N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 94819121
3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119865370
3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119865366
(2S)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide
CID 95307465
(2R)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide
CID 95307464
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
(2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120634827
N-[(1-benzylpiperidin-3-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 47082202
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865348
1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 49280156
(2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide
CID 95318380
3-[[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]methyl]benzoic acid
CID 122030782

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide (CID 49214275) is 1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide is O=C(NCC1CCCN(Cc2cccs2)C1)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide?
The InChIKey is ZUHRIOFBCWDMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3OS/c28-24(22-10-5-13-26(18-22)16-20-7-2-1-3-8-20)25-15-21-9-4-12-27(17-21)19-23-11-6-14-29-23/h1-3,6-8,11,14,21-22H,4-5,9-10,12-13,15-19H2,(H,25,28).
What are the key properties of 1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide?
1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide has a molecular weight of 411.62 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 49214275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).