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

C22H33ClN4O2 — CID 30620317

IUPAC(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide
SMILESC[C@H](C(=O)N(C)C1CCCCC1)N1CCN(CC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C22H33ClN4O2/c1-17(22(29)25(2)18-8-4-3-5-9-18)27-14-12-26(13-15-27)16-21(28)24-20-11-7-6-10-19(20)23/h6-7,10-11,17-18H,3-5,8-9,12-16H2,1-2H3,(H,24,28)/t17-/m1/s1
InChIKeyMGVZGFYVAKNALH-QGZVFWFLSA-N
MW420.99 g/mol
LogP3.08
Rot. Bonds6

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

(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide (PubChem CID 30620317) has the molecular formula C22H33ClN4O2 and a molecular weight of 420.99 g/mol. Its IUPAC name is (2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide
PubChem CID30620317
Molecular FormulaC22H33ClN4O2
Molecular Weight420.99 g/mol
Exact Mass420.23
IUPAC Name(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide
SMILESC[C@H](C(=O)N(C)C1CCCCC1)N1CCN(CC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C22H33ClN4O2/c1-17(22(29)25(2)18-8-4-3-5-9-18)27-14-12-26(13-15-27)16-21(28)24-20-11-7-6-10-19(20)23/h6-7,10-11,17-18H,3-5,8-9,12-16H2,1-2H3,(H,24,28)/t17-/m1/s1
InChIKeyMGVZGFYVAKNALH-QGZVFWFLSA-N
XLogP3.08
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.99
LogP ≤ 53.08
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-ethylpropanamide
CID 29162340
(2S)-N-cyclohexyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide
CID 30622887
(2S)-N-cyclohexyl-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide
CID 30620685
(2R)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide
CID 30621428
(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethyl-N-phenylpropanamide
CID 8799927
(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 9434415
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(cyclohexylmethyl)acetamide
CID 9434473
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
(2R)-N-benzyl-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 9434357
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
N-(2-chlorophenyl)-2-[4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8799798
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide?
The IUPAC name of (2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide (CID 30620317) is (2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide?
The canonical SMILES for (2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide is C[C@H](C(=O)N(C)C1CCCCC1)N1CCN(CC(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of (2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide?
The InChIKey is MGVZGFYVAKNALH-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H33ClN4O2/c1-17(22(29)25(2)18-8-4-3-5-9-18)27-14-12-26(13-15-27)16-21(28)24-20-11-7-6-10-19(20)23/h6-7,10-11,17-18H,3-5,8-9,12-16H2,1-2H3,(H,24,28)/t17-/m1/s1.
What are the key properties of (2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide?
(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide has a molecular weight of 420.99 g/mol, XLogP of 3.08, 6 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-methylpropanamide is sourced from PubChem (CID 30620317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).