4-(cyclohexylcarbamoylamino)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide

C22H40N4O2 — CID 166321650

IUPAC4-(cyclohexylcarbamoylamino)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide
SMILESCCC1CCCCC1CNC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C22H40N4O2/c1-2-17-8-6-7-9-18(17)16-23-22(28)26-14-12-20(13-15-26)25-21(27)24-19-10-4-3-5-11-19/h17-20H,2-16H2,1H3,(H,23,28)(H2,24,25,27)
InChIKeyLOIYUTFTEJNSCZ-UHFFFAOYSA-N
MW392.59 g/mol
LogP4.01
Rot. Bonds5

About 4-(cyclohexylcarbamoylamino)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide

4-(cyclohexylcarbamoylamino)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide (PubChem CID 166321650) has the molecular formula C22H40N4O2 and a molecular weight of 392.59 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide
PubChem CID166321650
Molecular FormulaC22H40N4O2
Molecular Weight392.59 g/mol
Exact Mass392.32
IUPAC Name4-(cyclohexylcarbamoylamino)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide
SMILESCCC1CCCCC1CNC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C22H40N4O2/c1-2-17-8-6-7-9-18(17)16-23-22(28)26-14-12-20(13-15-26)25-21(27)24-19-10-4-3-5-11-19/h17-20H,2-16H2,1H3,(H,23,28)(H2,24,25,27)
InChIKeyLOIYUTFTEJNSCZ-UHFFFAOYSA-N
XLogP4.01
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-butanoylpiperidin-4-yl)-3-cyclohexylurea
CID 110819357
N-[[2-(hydroxymethyl)cyclohexyl]methyl]piperidine-1-carboxamide
CID 79156081
1-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]-3-cyclohexylurea;hydrochloride
CID 86813571
N-cyclohexyl-4-(propanoylamino)piperidine-1-carboxamide
CID 110820925
4-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)cyclohexyl]piperidine-1-carboxamide
CID 167819747
3-(acetamidomethyl)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide
CID 166236584
1-[1-(2-aminopentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride
CID 119304288
1-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride
CID 119750510
1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea
CID 110749270
methyl 1-(cyclohexylcarbamoyl)piperidine-4-carboxylate
CID 894690
2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide
CID 40587829
N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyrrolidine-1-carboxamide
CID 79162228

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide (CID 166321650) is 4-(cyclohexylcarbamoylamino)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide is CCC1CCCCC1CNC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide?
The InChIKey is LOIYUTFTEJNSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4O2/c1-2-17-8-6-7-9-18(17)16-23-22(28)26-14-12-20(13-15-26)25-21(27)24-19-10-4-3-5-11-19/h17-20H,2-16H2,1H3,(H,23,28)(H2,24,25,27).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide?
4-(cyclohexylcarbamoylamino)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide has a molecular weight of 392.59 g/mol, XLogP of 4.01, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 166321650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).