N-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-4-phenylpiperidine-1-carboxamide

C32H39N3O — CID 70113194

IUPACN-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-4-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1CCN1CCC(Cc2ccccc2)CC1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C32H39N3O/c36-32(35-23-18-29(19-24-35)28-11-5-2-6-12-28)33-31-14-8-7-13-30(31)17-22-34-20-15-27(16-21-34)25-26-9-3-1-4-10-26/h1-14,27,29H,15-25H2,(H,33,36)
InChIKeyURIJEIDSELDYSO-UHFFFAOYSA-N
MW481.68 g/mol
LogP6.60
Rot. Bonds7

About N-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-4-phenylpiperidine-1-carboxamide

N-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-4-phenylpiperidine-1-carboxamide (PubChem CID 70113194) has the molecular formula C32H39N3O and a molecular weight of 481.68 g/mol. Its IUPAC name is N-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-4-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-4-phenylpiperidine-1-carboxamide
PubChem CID70113194
Molecular FormulaC32H39N3O
Molecular Weight481.68 g/mol
Exact Mass481.31
IUPAC NameN-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-4-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1CCN1CCC(Cc2ccccc2)CC1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C32H39N3O/c36-32(35-23-18-29(19-24-35)28-11-5-2-6-12-28)33-31-14-8-7-13-30(31)17-22-34-20-15-27(16-21-34)25-26-9-3-1-4-10-26/h1-14,27,29H,15-25H2,(H,33,36)
InChIKeyURIJEIDSELDYSO-UHFFFAOYSA-N
XLogP6.60
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.68
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 3857364
4-benzyl-N-phenylpiperidine-1-carboxamide
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4-benzyl-N-(2-tert-butylphenyl)piperidine-1-carboxamide
CID 3455496
1-benzyl-3-[2-[(4-benzylpiperidin-1-yl)methyl]phenyl]urea
CID 11133428
4-phenyl-1-(2-phenylethyl)piperidine
CID 54327803
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
4-phenyl-1-(2-phenylethyl)piperidine;propanamide
CID 175431355
2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
CID 166653471
4-benzyl-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 3570835
3-(4-benzylpiperidin-1-yl)-N-(2-methylphenyl)azetidine-1-carboxamide
CID 23140585
(Z)-but-2-enedioic acid;4-phenyl-1-(4-phenylbutyl)piperidine
CID 11682970
(3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 51895142

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-4-phenylpiperidine-1-carboxamide?
The IUPAC name of N-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-4-phenylpiperidine-1-carboxamide (CID 70113194) is N-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-4-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-4-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-4-phenylpiperidine-1-carboxamide is O=C(Nc1ccccc1CCN1CCC(Cc2ccccc2)CC1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of N-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-4-phenylpiperidine-1-carboxamide?
The InChIKey is URIJEIDSELDYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N3O/c36-32(35-23-18-29(19-24-35)28-11-5-2-6-12-28)33-31-14-8-7-13-30(31)17-22-34-20-15-27(16-21-34)25-26-9-3-1-4-10-26/h1-14,27,29H,15-25H2,(H,33,36).
What are the key properties of N-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-4-phenylpiperidine-1-carboxamide?
N-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-4-phenylpiperidine-1-carboxamide has a molecular weight of 481.68 g/mol, XLogP of 6.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-4-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 70113194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).