N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide

C35H40N2OS — CID 10230477

IUPACN-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide
SMILESCCCCCc1ccc(C(=O)N(Cc2ccc(-c3cccs3)cc2)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C35H40N2OS/c1-2-3-5-9-28-13-19-32(20-14-28)35(38)37(27-30-15-17-31(18-16-30)34-12-8-25-39-34)33-21-23-36(24-22-33)26-29-10-6-4-7-11-29/h4,6-8,10-20,25,33H,2-3,5,9,21-24,26-27H2,1H3
InChIKeyMNDOUGOWLXKPHW-UHFFFAOYSA-N
MW536.79 g/mol
LogP8.45
Rot. Bonds11

About N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide

N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide (PubChem CID 10230477) has the molecular formula C35H40N2OS and a molecular weight of 536.79 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide
PubChem CID10230477
Molecular FormulaC35H40N2OS
Molecular Weight536.79 g/mol
Exact Mass536.29
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide
SMILESCCCCCc1ccc(C(=O)N(Cc2ccc(-c3cccs3)cc2)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C35H40N2OS/c1-2-3-5-9-28-13-19-32(20-14-28)35(38)37(27-30-15-17-31(18-16-30)34-12-8-25-39-34)33-21-23-36(24-22-33)26-29-10-6-4-7-11-29/h4,6-8,10-20,25,33H,2-3,5,9,21-24,26-27H2,1H3
InChIKeyMNDOUGOWLXKPHW-UHFFFAOYSA-N
XLogP8.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.79
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzylazepan-4-yl)-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide
CID 10187349
N-(1-benzylpiperidin-4-yl)-N-(naphthalen-2-ylmethyl)-4-pentylbenzamide
CID 10300867
N-[[4-[benzyl(methyl)amino]phenyl]methyl]-4-pentyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzamide
CID 11238520
N-[[4-[benzyl(methyl)amino]phenyl]methyl]-4-pentyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 11365179
4-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 102452261
4-pentyl-N-[(4-phenylphenyl)methyl]-N-[[1-(3-phenylpropyl)piperidin-4-yl]methyl]benzamide
CID 11757800
N-[(4-morpholin-4-ylphenyl)methyl]-4-pentyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 11295672
N-[[4-[4-(4-benzylpiperazine-1-carbonyl)phenyl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylthiophene-2-carboxamide
CID 11542194
N-(1-benzylpiperidin-4-yl)-N-[[4-[3-[(2-methylpropylamino)methyl]phenyl]phenyl]methyl]thiophene-2-carboxamide
CID 44534872
benzyl N-[3-[3-[[(4-pentylbenzoyl)-[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]prop-2-ynyl]carbamate
CID 11570990
N-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentylbenzamide
CID 11605797
N-(1-benzylpiperidin-4-yl)-N-[(1S)-2-hydroxy-1-(4-phenylmethoxyphenyl)ethyl]-4-pentylbenzamide
CID 10188703

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide (CID 10230477) is N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide is CCCCCc1ccc(C(=O)N(Cc2ccc(-c3cccs3)cc2)C2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide?
The InChIKey is MNDOUGOWLXKPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N2OS/c1-2-3-5-9-28-13-19-32(20-14-28)35(38)37(27-30-15-17-31(18-16-30)34-12-8-25-39-34)33-21-23-36(24-22-33)26-29-10-6-4-7-11-29/h4,6-8,10-20,25,33H,2-3,5,9,21-24,26-27H2,1H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide?
N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide has a molecular weight of 536.79 g/mol, XLogP of 8.45, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide is sourced from PubChem (CID 10230477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).