2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide

C20H30ClN3O — CID 8591406

IUPAC2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
SMILESCc1ccc(Cl)cc1N1CCN(CC(=O)N[C@H]2CCCC[C@H]2C)CC1
InChIInChI=1S/C20H30ClN3O/c1-15-5-3-4-6-18(15)22-20(25)14-23-9-11-24(12-10-23)19-13-17(21)8-7-16(19)2/h7-8,13,15,18H,3-6,9-12,14H2,1-2H3,(H,22,25)/t15-,18+/m1/s1
InChIKeyXPYXCKHQVKDUQR-QAPCUYQASA-N
MW363.93 g/mol
LogP3.47
Rot. Bonds4

About 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide

2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide (PubChem CID 8591406) has the molecular formula C20H30ClN3O and a molecular weight of 363.93 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
PubChem CID8591406
Molecular FormulaC20H30ClN3O
Molecular Weight363.93 g/mol
Exact Mass363.21
IUPAC Name2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
SMILESCc1ccc(Cl)cc1N1CCN(CC(=O)N[C@H]2CCCC[C@H]2C)CC1
InChIInChI=1S/C20H30ClN3O/c1-15-5-3-4-6-18(15)22-20(25)14-23-9-11-24(12-10-23)19-13-17(21)8-7-16(19)2/h7-8,13,15,18H,3-6,9-12,14H2,1-2H3,(H,22,25)/t15-,18+/m1/s1
InChIKeyXPYXCKHQVKDUQR-QAPCUYQASA-N
XLogP3.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.93
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide with MolForge

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Related Compounds

2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 8591407
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8528448
N-(4-chlorophenyl)-4-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperazine-1-carboxamide
CID 75375800
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 8744110
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 8591262
2-(4-benzylpiperazin-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8902763
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 8591260
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
CID 6467861
N-(2-methylcyclohexyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 46535941
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 1439119
2-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 30736768
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide
CID 8591164

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide (CID 8591406) is 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide is Cc1ccc(Cl)cc1N1CCN(CC(=O)N[C@H]2CCCC[C@H]2C)CC1.
What is the InChIKey of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The InChIKey is XPYXCKHQVKDUQR-QAPCUYQASA-N. The full InChI is InChI=1S/C20H30ClN3O/c1-15-5-3-4-6-18(15)22-20(25)14-23-9-11-24(12-10-23)19-13-17(21)8-7-16(19)2/h7-8,13,15,18H,3-6,9-12,14H2,1-2H3,(H,22,25)/t15-,18+/m1/s1.
What are the key properties of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide has a molecular weight of 363.93 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 8591406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).