(2R)-2-(benzimidazol-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide

C21H24N4O — CID 39059697

IUPAC(2R)-2-(benzimidazol-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)n1cnc2ccccc21
InChIInChI=1S/C21H24N4O/c1-16(25-15-22-19-7-3-4-8-20(19)25)21(26)23-17-9-11-18(12-10-17)24-13-5-2-6-14-24/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,23,26)/t16-/m1/s1
InChIKeyYVICPUXFNCIDAC-MRXNPFEDSA-N
MW348.45 g/mol
LogP4.23
Rot. Bonds4

About (2R)-2-(benzimidazol-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide

(2R)-2-(benzimidazol-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide (PubChem CID 39059697) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is (2R)-2-(benzimidazol-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(benzimidazol-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
PubChem CID39059697
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name(2R)-2-(benzimidazol-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)n1cnc2ccccc21
InChIInChI=1S/C21H24N4O/c1-16(25-15-22-19-7-3-4-8-20(19)25)21(26)23-17-9-11-18(12-10-17)24-13-5-2-6-14-24/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,23,26)/t16-/m1/s1
InChIKeyYVICPUXFNCIDAC-MRXNPFEDSA-N
XLogP4.23
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-(benzimidazol-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide 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

(2R)-2-(benzimidazol-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide
CID 39036581
(2S)-2-(benzimidazol-1-yl)-N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]propanamide
CID 97249332
(2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide
CID 54996178
(2S)-N-[4-(azepan-1-yl)phenyl]-2-chloropropanamide
CID 51869081
(2S)-2-(benzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 39041110
[1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 18269553
(2R)-2-amino-N-[4-(azepan-1-yl)phenyl]-3-methylbutanamide
CID 79011906
2-(benzimidazol-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide
CID 83092147
3-[2-(benzimidazol-1-yl)propanoylamino]-N,N-diethylbenzamide
CID 42893030
N-benzhydryl-2-(benzimidazol-1-yl)propanamide
CID 112781098
2-(benzimidazol-1-yl)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]propanamide
CID 43070770
2,2-dichloro-N-(4-piperidin-1-ylphenyl)acetamide
CID 1480241

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzimidazol-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide?
The IUPAC name of (2R)-2-(benzimidazol-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide (CID 39059697) is (2R)-2-(benzimidazol-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(benzimidazol-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for (2R)-2-(benzimidazol-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide is C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)n1cnc2ccccc21.
What is the InChIKey of (2R)-2-(benzimidazol-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide?
The InChIKey is YVICPUXFNCIDAC-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N4O/c1-16(25-15-22-19-7-3-4-8-20(19)25)21(26)23-17-9-11-18(12-10-17)24-13-5-2-6-14-24/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,23,26)/t16-/m1/s1.
What are the key properties of (2R)-2-(benzimidazol-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide?
(2R)-2-(benzimidazol-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide has a molecular weight of 348.45 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzimidazol-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 39059697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).