1-(2-chloro-4-methylphenyl)-4-ethylpiperazine;2-cyano-N-cyclohexylacetamide

C22H33ClN4O — CID 143598704

IUPAC1-(2-chloro-4-methylphenyl)-4-ethylpiperazine;2-cyano-N-cyclohexylacetamide
SMILESCCN1CCN(c2ccc(C)cc2Cl)CC1.N#CCC(=O)NC1CCCCC1
InChIInChI=1S/C13H19ClN2.C9H14N2O/c1-3-15-6-8-16(9-7-15)13-5-4-11(2)10-12(13)14;10-7-6-9(12)11-8-4-2-1-3-5-8/h4-5,10H,3,6-9H2,1-2H3;8H,1-6H2,(H,11,12)
InChIKeyWXMMCVVTUXVOST-UHFFFAOYSA-N
MW404.99 g/mol
LogP4.14
Rot. Bonds4

About 1-(2-chloro-4-methylphenyl)-4-ethylpiperazine;2-cyano-N-cyclohexylacetamide

1-(2-chloro-4-methylphenyl)-4-ethylpiperazine;2-cyano-N-cyclohexylacetamide (PubChem CID 143598704) has the molecular formula C22H33ClN4O and a molecular weight of 404.99 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-4-ethylpiperazine;2-cyano-N-cyclohexylacetamide.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-4-ethylpiperazine;2-cyano-N-cyclohexylacetamide
PubChem CID143598704
Molecular FormulaC22H33ClN4O
Molecular Weight404.99 g/mol
Exact Mass404.23
IUPAC Name1-(2-chloro-4-methylphenyl)-4-ethylpiperazine;2-cyano-N-cyclohexylacetamide
SMILESCCN1CCN(c2ccc(C)cc2Cl)CC1.N#CCC(=O)NC1CCCCC1
InChIInChI=1S/C13H19ClN2.C9H14N2O/c1-3-15-6-8-16(9-7-15)13-5-4-11(2)10-12(13)14;10-7-6-9(12)11-8-4-2-1-3-5-8/h4-5,10H,3,6-9H2,1-2H3;8H,1-6H2,(H,11,12)
InChIKeyWXMMCVVTUXVOST-UHFFFAOYSA-N
XLogP4.14
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.99
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-cyclopentylacetamide
CID 5093205
6-amino-N-cyclohexylhexanamide;1-(2,3-dichlorophenyl)-4-ethylpiperazine;methane
CID 170584725
N-cyclohexyl-3-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 66989567
N-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6469730
1-[1-(2-chloro-4-methylphenyl)piperidin-4-yl]propan-1-one
CID 70992327
1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-ethylpiperazine;1-cyclohexyl-3-methylurea
CID 171492454
1-(2,4-diethylphenyl)-4-ethylpiperazine;N-hex-1-en-4-yn-2-ylcyclohexanamine
CID 143598802
tert-butyl N-cyclohexylcarbamate;1-(2-chloro-3-ethylphenyl)-4-ethylpiperazine
CID 171492412
N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide
CID 22689014
2-(3,4-dichlorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide
CID 17173850
N-cyclopropyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 17383788
N-cyclohexyl-2-(2,4-dimethylphenyl)acetamide
CID 56922648

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-4-ethylpiperazine;2-cyano-N-cyclohexylacetamide?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-4-ethylpiperazine;2-cyano-N-cyclohexylacetamide (CID 143598704) is 1-(2-chloro-4-methylphenyl)-4-ethylpiperazine;2-cyano-N-cyclohexylacetamide.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-4-ethylpiperazine;2-cyano-N-cyclohexylacetamide?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-4-ethylpiperazine;2-cyano-N-cyclohexylacetamide is CCN1CCN(c2ccc(C)cc2Cl)CC1.N#CCC(=O)NC1CCCCC1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-4-ethylpiperazine;2-cyano-N-cyclohexylacetamide?
The InChIKey is WXMMCVVTUXVOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2.C9H14N2O/c1-3-15-6-8-16(9-7-15)13-5-4-11(2)10-12(13)14;10-7-6-9(12)11-8-4-2-1-3-5-8/h4-5,10H,3,6-9H2,1-2H3;8H,1-6H2,(H,11,12).
What are the key properties of 1-(2-chloro-4-methylphenyl)-4-ethylpiperazine;2-cyano-N-cyclohexylacetamide?
1-(2-chloro-4-methylphenyl)-4-ethylpiperazine;2-cyano-N-cyclohexylacetamide has a molecular weight of 404.99 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-4-ethylpiperazine;2-cyano-N-cyclohexylacetamide is sourced from PubChem (CID 143598704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).