(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propanamide

C20H25ClN4O — CID 97070928

IUPAC(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C20H25ClN4O/c1-15-3-4-18(21)13-19(15)23-20(26)16(2)25-11-9-24(10-12-25)14-17-5-7-22-8-6-17/h3-8,13,16H,9-12,14H2,1-2H3,(H,23,26)/t16-/m1/s1
InChIKeyYKRLPRHEMYLQHV-MRXNPFEDSA-N
MW372.90 g/mol
LogP3.19
Rot. Bonds5

About (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propanamide

(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propanamide (PubChem CID 97070928) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propanamide
PubChem CID97070928
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C20H25ClN4O/c1-15-3-4-18(21)13-19(15)23-20(26)16(2)25-11-9-24(10-12-25)14-17-5-7-22-8-6-17/h3-8,13,16H,9-12,14H2,1-2H3,(H,23,26)/t16-/m1/s1
InChIKeyYKRLPRHEMYLQHV-MRXNPFEDSA-N
XLogP3.19
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]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

2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(5-chloro-2-methylphenyl)propanamide
CID 46631106
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide
CID 2690189
(2R)-2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
CID 9249952
(2R)-2-(azocan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
CID 9460529
2-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46681683
(2S)-N-(5-chloro-2-methylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]propanamide
CID 9442745
N-(5-chloro-2-methylphenyl)-2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
CID 24507499
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]propanamide
CID 9445035
1-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119908247
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431500
(2R)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 9258412
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 9275187

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propanamide (CID 97070928) is (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propanamide is Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCN(Cc2ccncc2)CC1.
What is the InChIKey of (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propanamide?
The InChIKey is YKRLPRHEMYLQHV-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-15-3-4-18(21)13-19(15)23-20(26)16(2)25-11-9-24(10-12-25)14-17-5-7-22-8-6-17/h3-8,13,16H,9-12,14H2,1-2H3,(H,23,26)/t16-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propanamide?
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propanamide has a molecular weight of 372.90 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2-methylphenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 97070928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).