1-(2-phenylacetyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide

C25H31N3O2 — CID 55652415

IUPAC1-(2-phenylacetyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCC1CCN(c2ccccc2)C1)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C25H31N3O2/c29-24(16-20-8-3-1-4-9-20)28-14-7-10-22(19-28)25(30)26-17-21-13-15-27(18-21)23-11-5-2-6-12-23/h1-6,8-9,11-12,21-22H,7,10,13-19H2,(H,26,30)
InChIKeyMFGPDNVYJYHAEF-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.11
Rot. Bonds6

About 1-(2-phenylacetyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide

1-(2-phenylacetyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 55652415) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 1-(2-phenylacetyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-phenylacetyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
PubChem CID55652415
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name1-(2-phenylacetyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCC1CCN(c2ccccc2)C1)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C25H31N3O2/c29-24(16-20-8-3-1-4-9-20)28-14-7-10-22(19-28)25(30)26-17-21-13-15-27(18-21)23-11-5-2-6-12-23/h1-6,8-9,11-12,21-22H,7,10,13-19H2,(H,26,30)
InChIKeyMFGPDNVYJYHAEF-UHFFFAOYSA-N
XLogP3.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxycyclopentyl)methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 111464083
1-(4-fluorobenzoyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 46403336
(3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94098690
1-N-(3-methylphenyl)-3-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,3-dicarboxamide
CID 55836349
1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide
CID 43815765
N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119854923
N-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 154780462
4-[[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120541562
(1S)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 98672750
1-N,1-N-dimethyl-4-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,4-dicarboxamide
CID 55701826
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119454204

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylacetyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-phenylacetyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide (CID 55652415) is 1-(2-phenylacetyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-phenylacetyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-phenylacetyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide is O=C(NCC1CCN(c2ccccc2)C1)C1CCCN(C(=O)Cc2ccccc2)C1.
What is the InChIKey of 1-(2-phenylacetyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is MFGPDNVYJYHAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c29-24(16-20-8-3-1-4-9-20)28-14-7-10-22(19-28)25(30)26-17-21-13-15-27(18-21)23-11-5-2-6-12-23/h1-6,8-9,11-12,21-22H,7,10,13-19H2,(H,26,30).
What are the key properties of 1-(2-phenylacetyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide?
1-(2-phenylacetyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylacetyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 55652415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).