N-(1-benzylpiperidin-4-yl)-N-(naphthalen-2-ylmethyl)-4-pentylbenzamide

C35H40N2O — CID 10300867

IUPACN-(1-benzylpiperidin-4-yl)-N-(naphthalen-2-ylmethyl)-4-pentylbenzamide
SMILESCCCCCc1ccc(C(=O)N(Cc2ccc3ccccc3c2)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C35H40N2O/c1-2-3-5-10-28-15-19-32(20-16-28)35(38)37(27-30-17-18-31-13-8-9-14-33(31)25-30)34-21-23-36(24-22-34)26-29-11-6-4-7-12-29/h4,6-9,11-20,25,34H,2-3,5,10,21-24,26-27H2,1H3
InChIKeyYUGNTBSYQDSRCZ-UHFFFAOYSA-N
MW504.72 g/mol
LogP7.88
Rot. Bonds10

About N-(1-benzylpiperidin-4-yl)-N-(naphthalen-2-ylmethyl)-4-pentylbenzamide

N-(1-benzylpiperidin-4-yl)-N-(naphthalen-2-ylmethyl)-4-pentylbenzamide (PubChem CID 10300867) has the molecular formula C35H40N2O and a molecular weight of 504.72 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N-(naphthalen-2-ylmethyl)-4-pentylbenzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-N-(naphthalen-2-ylmethyl)-4-pentylbenzamide
PubChem CID10300867
Molecular FormulaC35H40N2O
Molecular Weight504.72 g/mol
Exact Mass504.31
IUPAC NameN-(1-benzylpiperidin-4-yl)-N-(naphthalen-2-ylmethyl)-4-pentylbenzamide
SMILESCCCCCc1ccc(C(=O)N(Cc2ccc3ccccc3c2)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C35H40N2O/c1-2-3-5-10-28-15-19-32(20-16-28)35(38)37(27-30-17-18-31-13-8-9-14-33(31)25-30)34-21-23-36(24-22-34)26-29-11-6-4-7-12-29/h4,6-9,11-20,25,34H,2-3,5,10,21-24,26-27H2,1H3
InChIKeyYUGNTBSYQDSRCZ-UHFFFAOYSA-N
XLogP7.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.72
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide
CID 10230477
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
N-(1-benzylpiperidin-4-yl)-N-[(2-chloroquinolin-3-yl)methyl]naphthalene-2-carboxamide
CID 42699128
N-[2-(3,5-difluorophenyl)-1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethyl]-4-pentyl-N-(4-phenylbutyl)benzamide
CID 10009626
N-[(4-morpholin-4-ylphenyl)methyl]-4-pentyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 11295672
N-(1-benzylpiperidin-4-yl)-N-[(1S)-2-hydroxy-1-(4-phenylmethoxyphenyl)ethyl]-4-pentylbenzamide
CID 10188703
benzyl N-[3-[3-[[(4-pentylbenzoyl)-[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]prop-2-ynyl]carbamate
CID 11570990
2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]hexanoic acid;dihydrochloride
CID 142749256
4-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 102452261
2-[methyl-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid
CID 122042974

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-N-(naphthalen-2-ylmethyl)-4-pentylbenzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-N-(naphthalen-2-ylmethyl)-4-pentylbenzamide (CID 10300867) is N-(1-benzylpiperidin-4-yl)-N-(naphthalen-2-ylmethyl)-4-pentylbenzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-N-(naphthalen-2-ylmethyl)-4-pentylbenzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N-(naphthalen-2-ylmethyl)-4-pentylbenzamide is CCCCCc1ccc(C(=O)N(Cc2ccc3ccccc3c2)C2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-N-(naphthalen-2-ylmethyl)-4-pentylbenzamide?
The InChIKey is YUGNTBSYQDSRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N2O/c1-2-3-5-10-28-15-19-32(20-16-28)35(38)37(27-30-17-18-31-13-8-9-14-33(31)25-30)34-21-23-36(24-22-34)26-29-11-6-4-7-12-29/h4,6-9,11-20,25,34H,2-3,5,10,21-24,26-27H2,1H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-N-(naphthalen-2-ylmethyl)-4-pentylbenzamide?
N-(1-benzylpiperidin-4-yl)-N-(naphthalen-2-ylmethyl)-4-pentylbenzamide has a molecular weight of 504.72 g/mol, XLogP of 7.88, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-N-(naphthalen-2-ylmethyl)-4-pentylbenzamide is sourced from PubChem (CID 10300867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).