4-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pentanamide

C21H25N3O3 — CID 108558077

IUPAC4-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pentanamide
SMILESCC(=O)CCC(=O)NC1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C21H25N3O3/c1-16(25)4-9-20(26)22-18-10-14-24(15-11-18)21(27)17-5-7-19(8-6-17)23-12-2-3-13-23/h2-3,5-8,12-13,18H,4,9-11,14-15H2,1H3,(H,22,26)
InChIKeyNCZMRPIVQZVHNJ-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.57
Rot. Bonds6

About 4-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pentanamide

4-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pentanamide (PubChem CID 108558077) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pentanamide.

Molecular Properties

Compound Name4-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pentanamide
PubChem CID108558077
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name4-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pentanamide
SMILESCC(=O)CCC(=O)NC1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C21H25N3O3/c1-16(25)4-9-20(26)22-18-10-14-24(15-11-18)21(27)17-5-7-19(8-6-17)23-12-2-3-13-23/h2-3,5-8,12-13,18H,4,9-11,14-15H2,1H3,(H,22,26)
InChIKeyNCZMRPIVQZVHNJ-UHFFFAOYSA-N
XLogP2.57
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pentanamide 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

2-phenyl-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]acetamide
CID 108551296
N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide
CID 108550446
tert-butyl N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]carbamate
CID 108548177
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553254
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554724
N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-oxopentanamide
CID 108558019
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 108555927
4-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pentanamide
CID 108558110
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47796919
1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid
CID 45341241
(3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 62917916

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pentanamide?
The IUPAC name of 4-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pentanamide (CID 108558077) is 4-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pentanamide.
What is the SMILES notation for 4-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pentanamide?
The canonical SMILES for 4-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pentanamide is CC(=O)CCC(=O)NC1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1.
What is the InChIKey of 4-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pentanamide?
The InChIKey is NCZMRPIVQZVHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16(25)4-9-20(26)22-18-10-14-24(15-11-18)21(27)17-5-7-19(8-6-17)23-12-2-3-13-23/h2-3,5-8,12-13,18H,4,9-11,14-15H2,1H3,(H,22,26).
What are the key properties of 4-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pentanamide?
4-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pentanamide has a molecular weight of 367.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pentanamide is sourced from PubChem (CID 108558077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).