1-(2-phenylacetyl)-N-(3-piperidin-1-ylphenyl)pyrrolidine-2-carboxamide

C24H29N3O2 — CID 47727451

IUPAC1-(2-phenylacetyl)-N-(3-piperidin-1-ylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(N2CCCCC2)c1)C1CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C24H29N3O2/c28-23(17-19-9-3-1-4-10-19)27-16-8-13-22(27)24(29)25-20-11-7-12-21(18-20)26-14-5-2-6-15-26/h1,3-4,7,9-12,18,22H,2,5-6,8,13-17H2,(H,25,29)
InChIKeyZANIXRWNADGGEX-UHFFFAOYSA-N
MW391.51 g/mol
LogP3.85
Rot. Bonds5

About 1-(2-phenylacetyl)-N-(3-piperidin-1-ylphenyl)pyrrolidine-2-carboxamide

1-(2-phenylacetyl)-N-(3-piperidin-1-ylphenyl)pyrrolidine-2-carboxamide (PubChem CID 47727451) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is 1-(2-phenylacetyl)-N-(3-piperidin-1-ylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-phenylacetyl)-N-(3-piperidin-1-ylphenyl)pyrrolidine-2-carboxamide
PubChem CID47727451
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC Name1-(2-phenylacetyl)-N-(3-piperidin-1-ylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(N2CCCCC2)c1)C1CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C24H29N3O2/c28-23(17-19-9-3-1-4-10-19)27-16-8-13-22(27)24(29)25-20-11-7-12-21(18-20)26-14-5-2-6-15-26/h1,3-4,7,9-12,18,22H,2,5-6,8,13-17H2,(H,25,29)
InChIKeyZANIXRWNADGGEX-UHFFFAOYSA-N
XLogP3.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylsulfonylphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47720811
(2R)-1-(2-phenylacetyl)-N-[4-[(E)-2-[4-[[(2R)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 53326825
N-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 119032269
(2S)-1-(2-phenylacetyl)-N-[4-[5-[4-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]thiophen-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 58533068
1-(2-phenylacetyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 136525808
N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47923867
(2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95216209
(2S)-N-[4-[(E)-2-(4-benzamidophenyl)ethenyl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 58768832
(2S)-1-[2-(3-aminophenyl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-aminophenyl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 149136388
(2S)-N-[4-[2-(4-benzamidophenyl)ethenyl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 91593146
1-[2-(1-methylpyrrol-3-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 45215654
N-[1-(3-acetamidophenyl)ethyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47722251

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylacetyl)-N-(3-piperidin-1-ylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-phenylacetyl)-N-(3-piperidin-1-ylphenyl)pyrrolidine-2-carboxamide (CID 47727451) is 1-(2-phenylacetyl)-N-(3-piperidin-1-ylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-phenylacetyl)-N-(3-piperidin-1-ylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-phenylacetyl)-N-(3-piperidin-1-ylphenyl)pyrrolidine-2-carboxamide is O=C(Nc1cccc(N2CCCCC2)c1)C1CCCN1C(=O)Cc1ccccc1.
What is the InChIKey of 1-(2-phenylacetyl)-N-(3-piperidin-1-ylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is ZANIXRWNADGGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-23(17-19-9-3-1-4-10-19)27-16-8-13-22(27)24(29)25-20-11-7-12-21(18-20)26-14-5-2-6-15-26/h1,3-4,7,9-12,18,22H,2,5-6,8,13-17H2,(H,25,29).
What are the key properties of 1-(2-phenylacetyl)-N-(3-piperidin-1-ylphenyl)pyrrolidine-2-carboxamide?
1-(2-phenylacetyl)-N-(3-piperidin-1-ylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 391.51 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylacetyl)-N-(3-piperidin-1-ylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 47727451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).