N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C25H31N3O2 — CID 132662608

IUPACN-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC1CCN(c2ccc(C(C)NC(=O)c3cccc(N4CCCC4=O)c3)cc2)CC1
InChIInChI=1S/C25H31N3O2/c1-18-12-15-27(16-13-18)22-10-8-20(9-11-22)19(2)26-25(30)21-5-3-6-23(17-21)28-14-4-7-24(28)29/h3,5-6,8-11,17-19H,4,7,12-16H2,1-2H3,(H,26,30)
InChIKeyMKUZKCDLPZANBH-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.54
Rot. Bonds5

About N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 132662608) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID132662608
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC1CCN(c2ccc(C(C)NC(=O)c3cccc(N4CCCC4=O)c3)cc2)CC1
InChIInChI=1S/C25H31N3O2/c1-18-12-15-27(16-13-18)22-10-8-20(9-11-22)19(2)26-25(30)21-5-3-6-23(17-21)28-14-4-7-24(28)29/h3,5-6,8-11,17-19H,4,7,12-16H2,1-2H3,(H,26,30)
InChIKeyMKUZKCDLPZANBH-UHFFFAOYSA-N
XLogP4.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132654676
N-[1-(4-bromophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55395402
N-[1-(4-methoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132651870
N-[1-(4-ethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46654034
N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 132666115
2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-(1-phenylethyl)benzamide
CID 46828137
N-[1-(2,4-dimethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132651775
1-[(1S)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100717504
2-cyclopropyl-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid
CID 119213332
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-[1-(4-pyrrolidin-1-ylphenyl)ethyl]thiourea
CID 133216249
1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]thiourea
CID 100713116
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9164826

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 132662608) is N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is CC1CCN(c2ccc(C(C)NC(=O)c3cccc(N4CCCC4=O)c3)cc2)CC1.
What is the InChIKey of N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is MKUZKCDLPZANBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-18-12-15-27(16-13-18)22-10-8-20(9-11-22)19(2)26-25(30)21-5-3-6-23(17-21)28-14-4-7-24(28)29/h3,5-6,8-11,17-19H,4,7,12-16H2,1-2H3,(H,26,30).
What are the key properties of N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 405.54 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 132662608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).