2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-ium-1-yl)acetamide

C20H30ClN2O+ — CID 4995547

IUPAC2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-ium-1-yl)acetamide
SMILESCC1CC[NH+](C(C(=O)NC2CCCCC2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H29ClN2O/c1-15-11-13-23(14-12-15)19(16-7-9-17(21)10-8-16)20(24)22-18-5-3-2-4-6-18/h7-10,15,18-19H,2-6,11-14H2,1H3,(H,22,24)/p+1
InChIKeyJSSDUTBKRSCJAU-UHFFFAOYSA-O
MW349.93 g/mol
LogP3.14
Rot. Bonds4

About 2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-ium-1-yl)acetamide

2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-ium-1-yl)acetamide (PubChem CID 4995547) has the molecular formula C20H30ClN2O+ and a molecular weight of 349.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-ium-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-ium-1-yl)acetamide
PubChem CID4995547
Molecular FormulaC20H30ClN2O+
Molecular Weight349.93 g/mol
Exact Mass349.20
IUPAC Name2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-ium-1-yl)acetamide
SMILESCC1CC[NH+](C(C(=O)NC2CCCCC2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H29ClN2O/c1-15-11-13-23(14-12-15)19(16-7-9-17(21)10-8-16)20(24)22-18-5-3-2-4-6-18/h7-10,15,18-19H,2-6,11-14H2,1H3,(H,22,24)/p+1
InChIKeyJSSDUTBKRSCJAU-UHFFFAOYSA-O
XLogP3.14
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.93
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ium-1-ylacetamide
CID 4173138
2-(4-chlorophenyl)-N-cyclopentyl-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
CID 4995554
N-cyclohexyl-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 4586622
(2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-yl)acetamide
CID 94778986
[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-dimethylazanium
CID 4206046
2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide
CID 60631278
2-(4-chlorophenyl)-N-cyclohexyl-2-(diethylamino)acetamide
CID 3668552
[(1R)-1-(4-chlorophenyl)ethyl]-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]azanium
CID 8635750
2-(4-chlorophenyl)-N-cyclohexyl-2-pyrrolidin-1-ylacetamide
CID 4177946
2-[(2-chloroacetyl)-cyclohexylamino]-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 3441709
5,5-dichloro-3-(4-chlorophenyl)-N-cyclohexylpent-4-enamide
CID 139938077
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyclohexylurea
CID 14458365

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-ium-1-yl)acetamide (CID 4995547) is 2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-ium-1-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-ium-1-yl)acetamide is CC1CC[NH+](C(C(=O)NC2CCCCC2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
The InChIKey is JSSDUTBKRSCJAU-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H29ClN2O/c1-15-11-13-23(14-12-15)19(16-7-9-17(21)10-8-16)20(24)22-18-5-3-2-4-6-18/h7-10,15,18-19H,2-6,11-14H2,1H3,(H,22,24)/p+1.
What are the key properties of 2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-ium-1-yl)acetamide has a molecular weight of 349.93 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-ium-1-yl)acetamide is sourced from PubChem (CID 4995547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).