1-benzyl-4-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-4-carboxamide

C24H31N3O — CID 91772427

IUPAC1-benzyl-4-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NC[C@@H]1CCCN1)C1(c2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H31N3O/c28-23(26-18-22-12-7-15-25-22)24(21-10-5-2-6-11-21)13-16-27(17-14-24)19-20-8-3-1-4-9-20/h1-6,8-11,22,25H,7,12-19H2,(H,26,28)/t22-/m0/s1
InChIKeyZJYBEJUOPPYFNX-QFIPXVFZSA-N
MW377.53 g/mol
LogP3.09
Rot. Bonds6

About 1-benzyl-4-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-4-carboxamide

1-benzyl-4-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 91772427) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 1-benzyl-4-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-4-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-4-carboxamide
PubChem CID91772427
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name1-benzyl-4-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NC[C@@H]1CCCN1)C1(c2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H31N3O/c28-23(26-18-22-12-7-15-25-22)24(21-10-5-2-6-11-21)13-16-27(17-14-24)19-20-8-3-1-4-9-20/h1-6,8-11,22,25H,7,12-19H2,(H,26,28)/t22-/m0/s1
InChIKeyZJYBEJUOPPYFNX-QFIPXVFZSA-N
XLogP3.09
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethylsulfonyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119514618
1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 119514550
1-(3-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 119509968
1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide;hydrochloride
CID 119513259
1-benzyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119514658
1-(benzylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide
CID 119509865
1-benzyl-N-(1-fluoropropan-2-yl)-4-phenylpiperidine-4-carboxamide
CID 166370243
1-benzyl-4-(2-pyrrolidin-2-ylethyl)piperidine
CID 82667436
1-benzyl-4-(pyrrolidin-2-ylmethyl)piperidine
CID 82665559
N-(cyclopropylmethyl)-1-phenylcyclobutane-1-carboxamide
CID 34832176
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-4-phenyloxane-4-carboxamide
CID 47085199
N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide
CID 39895770

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-4-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-4-carboxamide (CID 91772427) is 1-benzyl-4-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-4-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-4-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-4-carboxamide is O=C(NC[C@@H]1CCCN1)C1(c2ccccc2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is ZJYBEJUOPPYFNX-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H31N3O/c28-23(26-18-22-12-7-15-25-22)24(21-10-5-2-6-11-21)13-16-27(17-14-24)19-20-8-3-1-4-9-20/h1-6,8-11,22,25H,7,12-19H2,(H,26,28)/t22-/m0/s1.
What are the key properties of 1-benzyl-4-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-4-carboxamide?
1-benzyl-4-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 377.53 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 91772427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).