(2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide

C20H31N3O — CID 9266173

IUPAC(2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
SMILESCc1cccc(CN2CCN([C@H](C)C(=O)NC3CCCC3)CC2)c1
InChIInChI=1S/C20H31N3O/c1-16-6-5-7-18(14-16)15-22-10-12-23(13-11-22)17(2)20(24)21-19-8-3-4-9-19/h5-7,14,17,19H,3-4,8-13,15H2,1-2H3,(H,21,24)/t17-/m1/s1
InChIKeyKCTFQPXIYXOCPW-QGZVFWFLSA-N
MW329.49 g/mol
LogP2.56
Rot. Bonds5

About (2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide

(2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide (PubChem CID 9266173) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
PubChem CID9266173
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name(2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
SMILESCc1cccc(CN2CCN([C@H](C)C(=O)NC3CCCC3)CC2)c1
InChIInChI=1S/C20H31N3O/c1-16-6-5-7-18(14-16)15-22-10-12-23(13-11-22)17(2)20(24)21-19-8-3-4-9-19/h5-7,14,17,19H,3-4,8-13,15H2,1-2H3,(H,21,24)/t17-/m1/s1
InChIKeyKCTFQPXIYXOCPW-QGZVFWFLSA-N
XLogP2.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241
N-cyclopentyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 18088721
2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51301703
(2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 9266285
(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide
CID 9389740
(2R)-N-benzyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266116
(2S)-N-benzyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266113
2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 47018326
(2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-prop-2-enylpropanamide
CID 34892541
(2S)-N-cyclopentyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 8997511
2-(4-benzylpiperazin-1-yl)-N-(3-methylphenyl)propanamide
CID 42858680

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide (CID 9266173) is (2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide is Cc1cccc(CN2CCN([C@H](C)C(=O)NC3CCCC3)CC2)c1.
What is the InChIKey of (2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide?
The InChIKey is KCTFQPXIYXOCPW-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H31N3O/c1-16-6-5-7-18(14-16)15-22-10-12-23(13-11-22)17(2)20(24)21-19-8-3-4-9-19/h5-7,14,17,19H,3-4,8-13,15H2,1-2H3,(H,21,24)/t17-/m1/s1.
What are the key properties of (2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide?
(2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide has a molecular weight of 329.49 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 9266173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).