N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide

C25H29N3O2 — CID 42457609

IUPACN-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(N[C@H]1CCCN(C2Cc3ccccc3C2)C1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C25H29N3O2/c29-24-11-5-13-28(24)22-10-3-8-20(16-22)25(30)26-21-9-4-12-27(17-21)23-14-18-6-1-2-7-19(18)15-23/h1-3,6-8,10,16,21,23H,4-5,9,11-15,17H2,(H,26,30)/t21-/m0/s1
InChIKeyAUJMYIALFBUAQU-NRFANRHFSA-N
MW403.53 g/mol
LogP3.17
Rot. Bonds4

About N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 42457609) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID42457609
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(N[C@H]1CCCN(C2Cc3ccccc3C2)C1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C25H29N3O2/c29-24-11-5-13-28(24)22-10-3-8-20(16-22)25(30)26-21-9-4-12-27(17-21)23-14-18-6-1-2-7-19(18)15-23/h1-3,6-8,10,16,21,23H,4-5,9,11-15,17H2,(H,26,30)/t21-/m0/s1
InChIKeyAUJMYIALFBUAQU-NRFANRHFSA-N
XLogP3.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide 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-cyclooctyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4229482
N-(1-cyclopropylpiperidin-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 86921682
3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]azetidine-1-carboxamide
CID 146022903
2-chloro-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyridine-4-carboxamide
CID 25380061
N-[(3S)-1-benzylpyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 40952996
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 119456953
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 119456952
N-(2-methylpiperidin-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 120601523
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-(2-methylcyclohexyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4063191
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 119496776

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 42457609) is N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide is O=C(N[C@H]1CCCN(C2Cc3ccccc3C2)C1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is AUJMYIALFBUAQU-NRFANRHFSA-N. The full InChI is InChI=1S/C25H29N3O2/c29-24-11-5-13-28(24)22-10-3-8-20(16-22)25(30)26-21-9-4-12-27(17-21)23-14-18-6-1-2-7-19(18)15-23/h1-3,6-8,10,16,21,23H,4-5,9,11-15,17H2,(H,26,30)/t21-/m0/s1.
What are the key properties of N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 403.53 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 42457609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).