N-butyl-N-methyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide

C21H31N3O2 — CID 113189877

IUPACN-butyl-N-methyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESCCCCN(C)C(=O)C1CC(=O)N(c2ccc(N3CCCCC3)cc2)C1
InChIInChI=1S/C21H31N3O2/c1-3-4-12-22(2)21(26)17-15-20(25)24(16-17)19-10-8-18(9-11-19)23-13-6-5-7-14-23/h8-11,17H,3-7,12-16H2,1-2H3
InChIKeyCRROVWPKPRFIJG-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.29
Rot. Bonds6

About N-butyl-N-methyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide

N-butyl-N-methyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 113189877) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-butyl-N-methyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID113189877
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-butyl-N-methyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESCCCCN(C)C(=O)C1CC(=O)N(c2ccc(N3CCCCC3)cc2)C1
InChIInChI=1S/C21H31N3O2/c1-3-4-12-22(2)21(26)17-15-20(25)24(16-17)19-10-8-18(9-11-19)23-13-6-5-7-14-23/h8-11,17H,3-7,12-16H2,1-2H3
InChIKeyCRROVWPKPRFIJG-UHFFFAOYSA-N
XLogP3.29
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(4-acetamidophenyl)-N-butyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113189096
N-butyl-1-(3,4-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113190903
N-butyl-1-(3,5-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113191157
N-butyl-1-(2,6-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113191265
N-butyl-1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113190814
N-butyl-N-ethyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082044
4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one
CID 113189848
N-(3-butoxypropyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791044
(3R)-1-cyclopentyl-N-methyl-5-oxo-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 25360307
N-ethyl-N-(3-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189843
N-butyl-1-(2-chloro-4,6-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113187919
(3S)-1-(4-ethylphenyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 9389070

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-butyl-N-methyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide (CID 113189877) is N-butyl-N-methyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-butyl-N-methyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide is CCCCN(C)C(=O)C1CC(=O)N(c2ccc(N3CCCCC3)cc2)C1.
What is the InChIKey of N-butyl-N-methyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is CRROVWPKPRFIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-3-4-12-22(2)21(26)17-15-20(25)24(16-17)19-10-8-18(9-11-19)23-13-6-5-7-14-23/h8-11,17H,3-7,12-16H2,1-2H3.
What are the key properties of N-butyl-N-methyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide?
N-butyl-N-methyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113189877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).