2-(4-cyclopentylpiperazin-1-yl)-N-(2,6-dimethylphenyl)propanamide

C20H31N3O — CID 86928080

IUPAC2-(4-cyclopentylpiperazin-1-yl)-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cccc(C)c1NC(=O)C(C)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H31N3O/c1-15-7-6-8-16(2)19(15)21-20(24)17(3)22-11-13-23(14-12-22)18-9-4-5-10-18/h6-8,17-18H,4-5,9-14H2,1-3H3,(H,21,24)
InChIKeyZMDYZRBDGMBLRD-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.19
Rot. Bonds4

About 2-(4-cyclopentylpiperazin-1-yl)-N-(2,6-dimethylphenyl)propanamide

2-(4-cyclopentylpiperazin-1-yl)-N-(2,6-dimethylphenyl)propanamide (PubChem CID 86928080) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-(4-cyclopentylpiperazin-1-yl)-N-(2,6-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-cyclopentylpiperazin-1-yl)-N-(2,6-dimethylphenyl)propanamide
PubChem CID86928080
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name2-(4-cyclopentylpiperazin-1-yl)-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cccc(C)c1NC(=O)C(C)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H31N3O/c1-15-7-6-8-16(2)19(15)21-20(24)17(3)22-11-13-23(14-12-22)18-9-4-5-10-18/h6-8,17-18H,4-5,9-14H2,1-3H3,(H,21,24)
InChIKeyZMDYZRBDGMBLRD-UHFFFAOYSA-N
XLogP3.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyclopentylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 86928056
N-(2-benzylphenyl)-2-(4-cyclopentylpiperazin-1-yl)propanamide
CID 86928115
(2R)-N-cyclohexyl-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 51627460
N-(2,6-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide
CID 3223551
(2S)-N-(2,6-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 9431836
N-(2,6-dimethylphenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanamide
CID 55501519
(2R)-2-(azepan-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9032994
2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 3824270
(2R)-2-(4-acetylpiperazin-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9033789
2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 167773947
(2R)-N-(2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274926
N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide
CID 51086745

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-N-(2,6-dimethylphenyl)propanamide?
The IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-N-(2,6-dimethylphenyl)propanamide (CID 86928080) is 2-(4-cyclopentylpiperazin-1-yl)-N-(2,6-dimethylphenyl)propanamide.
What is the SMILES notation for 2-(4-cyclopentylpiperazin-1-yl)-N-(2,6-dimethylphenyl)propanamide?
The canonical SMILES for 2-(4-cyclopentylpiperazin-1-yl)-N-(2,6-dimethylphenyl)propanamide is Cc1cccc(C)c1NC(=O)C(C)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 2-(4-cyclopentylpiperazin-1-yl)-N-(2,6-dimethylphenyl)propanamide?
The InChIKey is ZMDYZRBDGMBLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-15-7-6-8-16(2)19(15)21-20(24)17(3)22-11-13-23(14-12-22)18-9-4-5-10-18/h6-8,17-18H,4-5,9-14H2,1-3H3,(H,21,24).
What are the key properties of 2-(4-cyclopentylpiperazin-1-yl)-N-(2,6-dimethylphenyl)propanamide?
2-(4-cyclopentylpiperazin-1-yl)-N-(2,6-dimethylphenyl)propanamide has a molecular weight of 329.49 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylpiperazin-1-yl)-N-(2,6-dimethylphenyl)propanamide is sourced from PubChem (CID 86928080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).