1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide

C18H25N3O2 — CID 119454204

IUPAC1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide
SMILESO=C(NC1CCNC1)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C18H25N3O2/c22-17(11-14-5-2-1-3-6-14)21-10-4-7-15(13-21)18(23)20-16-8-9-19-12-16/h1-3,5-6,15-16,19H,4,7-13H2,(H,20,23)
InChIKeyORXUAHOYMCYXBE-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.95
Rot. Bonds4

About 1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide

1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide (PubChem CID 119454204) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide
PubChem CID119454204
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide
SMILESO=C(NC1CCNC1)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C18H25N3O2/c22-17(11-14-5-2-1-3-6-14)21-10-4-7-15(13-21)18(23)20-16-8-9-19-12-16/h1-3,5-6,15-16,19H,4,7-13H2,(H,20,23)
InChIKeyORXUAHOYMCYXBE-UHFFFAOYSA-N
XLogP0.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpiperidin-4-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 120599408
1-benzoyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119453805
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 47086866
N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide
CID 2817995
(3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94098690
(3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide
CID 102220745
1-[3-(1,4-diazepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 119418627
1-benzyl-N-piperidin-4-ylpiperidine-3-carboxamide;dihydrochloride
CID 119389750
N-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 2300454
N-cyclohexyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 84514889
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083
1-(cyclopropanecarbonyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119453411

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide (CID 119454204) is 1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide is O=C(NC1CCNC1)C1CCCN(C(=O)Cc2ccccc2)C1.
What is the InChIKey of 1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide?
The InChIKey is ORXUAHOYMCYXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-17(11-14-5-2-1-3-6-14)21-10-4-7-15(13-21)18(23)20-16-8-9-19-12-16/h1-3,5-6,15-16,19H,4,7-13H2,(H,20,23).
What are the key properties of 1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide?
1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide is sourced from PubChem (CID 119454204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).