(3R)-1-cyclopentyl-N-methyl-5-oxo-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide

C23H33N3O2 — CID 25360307

IUPAC(3R)-1-cyclopentyl-N-methyl-5-oxo-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C23H33N3O2/c1-24(16-18-9-11-20(12-10-18)25-13-5-2-6-14-25)23(28)19-15-22(27)26(17-19)21-7-3-4-8-21/h9-12,19,21H,2-8,13-17H2,1H3/t19-/m1/s1
InChIKeyCJJQZTXVDVPNOW-LJQANCHMSA-N
MW383.54 g/mol
LogP3.43
Rot. Bonds5

About (3R)-1-cyclopentyl-N-methyl-5-oxo-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide

(3R)-1-cyclopentyl-N-methyl-5-oxo-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 25360307) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is (3R)-1-cyclopentyl-N-methyl-5-oxo-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopentyl-N-methyl-5-oxo-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID25360307
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name(3R)-1-cyclopentyl-N-methyl-5-oxo-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C23H33N3O2/c1-24(16-18-9-11-20(12-10-18)25-13-5-2-6-14-25)23(28)19-15-22(27)26(17-19)21-7-3-4-8-21/h9-12,19,21H,2-8,13-17H2,1H3/t19-/m1/s1
InChIKeyCJJQZTXVDVPNOW-LJQANCHMSA-N
XLogP3.43
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-N-methyl-N-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 46654933
1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 42917812
1-cyclopentyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 55359005
N-benzyl-1-(1-benzylpiperidin-4-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46110134
(3R)-1-cyclopropyl-N-methyl-5-oxo-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 94181767
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134034927
N-butyl-N-methyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189877
1-cyclopropyl-N-methyl-N-[(3-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 70775095
1-cyclopentyl-N-methyl-5-oxo-N-(quinoxalin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 70738906
(3R)-1-(2-fluorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51925069
N-(2-cyanoethyl)-1-cyclopentyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51074163
3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231414

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopentyl-N-methyl-5-oxo-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopentyl-N-methyl-5-oxo-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 25360307) is (3R)-1-cyclopentyl-N-methyl-5-oxo-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopentyl-N-methyl-5-oxo-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopentyl-N-methyl-5-oxo-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide is CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of (3R)-1-cyclopentyl-N-methyl-5-oxo-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is CJJQZTXVDVPNOW-LJQANCHMSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-24(16-18-9-11-20(12-10-18)25-13-5-2-6-14-25)23(28)19-15-22(27)26(17-19)21-7-3-4-8-21/h9-12,19,21H,2-8,13-17H2,1H3/t19-/m1/s1.
What are the key properties of (3R)-1-cyclopentyl-N-methyl-5-oxo-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide?
(3R)-1-cyclopentyl-N-methyl-5-oxo-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopentyl-N-methyl-5-oxo-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 25360307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).