N-butyl-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

C21H31N3O2 — CID 113189917

IUPACN-butyl-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCNC(=O)C1CC(=O)N(c2ccc(N3CCC(C)CC3)cc2)C1
InChIInChI=1S/C21H31N3O2/c1-3-4-11-22-21(26)17-14-20(25)24(15-17)19-7-5-18(6-8-19)23-12-9-16(2)10-13-23/h5-8,16-17H,3-4,9-15H2,1-2H3,(H,22,26)
InChIKeyANTZFQYYPKQNJZ-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.19
Rot. Bonds6

About N-butyl-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

N-butyl-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113189917) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-butyl-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113189917
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-butyl-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCNC(=O)C1CC(=O)N(c2ccc(N3CCC(C)CC3)cc2)C1
InChIInChI=1S/C21H31N3O2/c1-3-4-11-22-21(26)17-14-20(25)24(15-17)19-7-5-18(6-8-19)23-12-9-16(2)10-13-23/h5-8,16-17H,3-4,9-15H2,1-2H3,(H,22,26)
InChIKeyANTZFQYYPKQNJZ-UHFFFAOYSA-N
XLogP3.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113189925
N-(3-butoxypropyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791044
1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 113189916
N-(3-hydroxypropyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108803695
1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide
CID 108793622
1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide
CID 17310603
N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521
4-(4-methylpiperidine-1-carbonyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidin-2-one
CID 113189924
1-(4-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 44828263
(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 9351944
(3R)-N-butyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 9402507
1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 2844952

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-butyl-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 113189917) is N-butyl-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-butyl-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is CCCCNC(=O)C1CC(=O)N(c2ccc(N3CCC(C)CC3)cc2)C1.
What is the InChIKey of N-butyl-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ANTZFQYYPKQNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-3-4-11-22-21(26)17-14-20(25)24(15-17)19-7-5-18(6-8-19)23-12-9-16(2)10-13-23/h5-8,16-17H,3-4,9-15H2,1-2H3,(H,22,26).
What are the key properties of N-butyl-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
N-butyl-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113189917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).