N-cyclohexyl-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylacetamide

C20H31N2O+ — CID 4586622

IUPACN-cyclohexyl-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylacetamide
SMILESCc1ccc(C(C(=O)NC2CCCCC2)[NH+]2CCCCC2)cc1
InChIInChI=1S/C20H30N2O/c1-16-10-12-17(13-11-16)19(22-14-6-3-7-15-22)20(23)21-18-8-4-2-5-9-18/h10-13,18-19H,2-9,14-15H2,1H3,(H,21,23)/p+1
InChIKeyRLHQJPYGVDFPCM-UHFFFAOYSA-O
MW315.48 g/mol
LogP2.55
Rot. Bonds4

About N-cyclohexyl-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylacetamide

N-cyclohexyl-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylacetamide (PubChem CID 4586622) has the molecular formula C20H31N2O+ and a molecular weight of 315.48 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylacetamide
PubChem CID4586622
Molecular FormulaC20H31N2O+
Molecular Weight315.48 g/mol
Exact Mass315.24
IUPAC NameN-cyclohexyl-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylacetamide
SMILESCc1ccc(C(C(=O)NC2CCCCC2)[NH+]2CCCCC2)cc1
InChIInChI=1S/C20H30N2O/c1-16-10-12-17(13-11-16)19(22-14-6-3-7-15-22)20(23)21-18-8-4-2-5-9-18/h10-13,18-19H,2-9,14-15H2,1H3,(H,21,23)/p+1
InChIKeyRLHQJPYGVDFPCM-UHFFFAOYSA-O
XLogP2.55
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 52.55
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
2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 4995547
(2S)-N-cyclopentyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 94778907
(2R)-N-cyclohexyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 94778949
1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 94192175
2-[(2-chloroacetyl)-cyclopentylamino]-N-cyclohexyl-2-(4-methylphenyl)acetamide
CID 4276966
1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea
CID 47322191
(2S)-N-cyclohexyl-2-(dibenzylamino)-2-(4-methylphenyl)acetamide
CID 94233334
N-cyclooctyl-4-methylbenzamide
CID 3995245
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclohexylpropanamide
CID 120667696
N-cyclohexyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 3355397

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylacetamide?
The IUPAC name of N-cyclohexyl-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylacetamide (CID 4586622) is N-cyclohexyl-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylacetamide?
The canonical SMILES for N-cyclohexyl-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylacetamide is Cc1ccc(C(C(=O)NC2CCCCC2)[NH+]2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylacetamide?
The InChIKey is RLHQJPYGVDFPCM-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H30N2O/c1-16-10-12-17(13-11-16)19(22-14-6-3-7-15-22)20(23)21-18-8-4-2-5-9-18/h10-13,18-19H,2-9,14-15H2,1H3,(H,21,23)/p+1.
What are the key properties of N-cyclohexyl-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylacetamide?
N-cyclohexyl-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylacetamide has a molecular weight of 315.48 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylacetamide is sourced from PubChem (CID 4586622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).