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

C21H33N3O — CID 86928056

IUPAC2-(4-cyclopentylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)N2CCN(C3CCCC3)CC2)c(C)c1
InChIInChI=1S/C21H33N3O/c1-15-13-16(2)20(17(3)14-15)22-21(25)18(4)23-9-11-24(12-10-23)19-7-5-6-8-19/h13-14,18-19H,5-12H2,1-4H3,(H,22,25)
InChIKeyYMAHBTTYZAPEBB-UHFFFAOYSA-N
MW343.52 g/mol
LogP3.50
Rot. Bonds4

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

2-(4-cyclopentylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 86928056) has the molecular formula C21H33N3O and a molecular weight of 343.52 g/mol. Its IUPAC name is 2-(4-cyclopentylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-cyclopentylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID86928056
Molecular FormulaC21H33N3O
Molecular Weight343.52 g/mol
Exact Mass343.26
IUPAC Name2-(4-cyclopentylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)N2CCN(C3CCCC3)CC2)c(C)c1
InChIInChI=1S/C21H33N3O/c1-15-13-16(2)20(17(3)14-15)22-21(25)18(4)23-9-11-24(12-10-23)19-7-5-6-8-19/h13-14,18-19H,5-12H2,1-4H3,(H,22,25)
InChIKeyYMAHBTTYZAPEBB-UHFFFAOYSA-N
XLogP3.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyclopentylpiperazin-1-yl)-N-(2,6-dimethylphenyl)propanamide
CID 86928080
2-(4-oxopiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 82342693
N,N-dimethyl-4-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]piperazine-1-carboxamide
CID 86984071
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 120774348
(2S)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 9257224
2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 86923497
N-(2-chloro-4,6-dimethylphenyl)-4-cyclohexylpiperazine-1-carboxamide
CID 113104629
(2R)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 8774722
(2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 9266285
N-(2-benzylphenyl)-2-(4-cyclopentylpiperazin-1-yl)propanamide
CID 86928115
2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 167773947
(2R)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 8720823

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide (CID 86928056) is 2-(4-cyclopentylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 2-(4-cyclopentylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 2-(4-cyclopentylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)C(C)N2CCN(C3CCCC3)CC2)c(C)c1.
What is the InChIKey of 2-(4-cyclopentylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is YMAHBTTYZAPEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-15-13-16(2)20(17(3)14-15)22-21(25)18(4)23-9-11-24(12-10-23)19-7-5-6-8-19/h13-14,18-19H,5-12H2,1-4H3,(H,22,25).
What are the key properties of 2-(4-cyclopentylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide?
2-(4-cyclopentylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 343.52 g/mol, XLogP of 3.50, 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-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 86928056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).