(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-ethylpropanamide

C23H35ClN4O2 — CID 29162340

IUPAC(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-ethylpropanamide
SMILESCCN(C(=O)[C@@H](C)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)C1CCCCC1
InChIInChI=1S/C23H35ClN4O2/c1-3-28(19-9-5-4-6-10-19)23(30)18(2)27-15-13-26(14-16-27)17-22(29)25-21-12-8-7-11-20(21)24/h7-8,11-12,18-19H,3-6,9-10,13-17H2,1-2H3,(H,25,29)/t18-/m1/s1
InChIKeyYQIQIRVXWQKVGY-GOSISDBHSA-N
MW435.01 g/mol
LogP3.47
Rot. Bonds7

About (2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-ethylpropanamide

(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-ethylpropanamide (PubChem CID 29162340) has the molecular formula C23H35ClN4O2 and a molecular weight of 435.01 g/mol. Its IUPAC name is (2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-ethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-ethylpropanamide
PubChem CID29162340
Molecular FormulaC23H35ClN4O2
Molecular Weight435.01 g/mol
Exact Mass434.24
IUPAC Name(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-ethylpropanamide
SMILESCCN(C(=O)[C@@H](C)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)C1CCCCC1
InChIInChI=1S/C23H35ClN4O2/c1-3-28(19-9-5-4-6-10-19)23(30)18(2)27-15-13-26(14-16-27)17-22(29)25-21-12-8-7-11-20(21)24/h7-8,11-12,18-19H,3-6,9-10,13-17H2,1-2H3,(H,25,29)/t18-/m1/s1
InChIKeyYQIQIRVXWQKVGY-GOSISDBHSA-N
XLogP3.47
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.01
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide
CID 30620317
(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethyl-N-phenylpropanamide
CID 8799927
(2S)-N-cyclohexyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide
CID 30622887
(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 9434415
(2S)-N-cyclohexyl-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide
CID 30620685
(2R)-N-benzyl-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 9434357
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
2-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 9434323
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 55431745
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-chlorophenyl)acetamide;hydrochloride
CID 119920864
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(cyclohexylmethyl)acetamide
CID 9434473
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-ethylpropanamide?
The IUPAC name of (2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-ethylpropanamide (CID 29162340) is (2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-ethylpropanamide.
What is the SMILES notation for (2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-ethylpropanamide?
The canonical SMILES for (2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-ethylpropanamide is CCN(C(=O)[C@@H](C)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)C1CCCCC1.
What is the InChIKey of (2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-ethylpropanamide?
The InChIKey is YQIQIRVXWQKVGY-GOSISDBHSA-N. The full InChI is InChI=1S/C23H35ClN4O2/c1-3-28(19-9-5-4-6-10-19)23(30)18(2)27-15-13-26(14-16-27)17-22(29)25-21-12-8-7-11-20(21)24/h7-8,11-12,18-19H,3-6,9-10,13-17H2,1-2H3,(H,25,29)/t18-/m1/s1.
What are the key properties of (2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-ethylpropanamide?
(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-ethylpropanamide has a molecular weight of 435.01 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-ethylpropanamide is sourced from PubChem (CID 29162340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).