N-[1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide

C21H36N4O3 — CID 86860953

IUPACN-[1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
SMILESO=C(CN1CCC(NC(=O)C2CCCCC2)CC1)NC(=O)NC1CCCCC1
InChIInChI=1S/C21H36N4O3/c26-19(24-21(28)23-17-9-5-2-6-10-17)15-25-13-11-18(12-14-25)22-20(27)16-7-3-1-4-8-16/h16-18H,1-15H2,(H,22,27)(H2,23,24,26,28)
InChIKeyWLBWKPHOVMRKNF-UHFFFAOYSA-N
MW392.54 g/mol
LogP2.31
Rot. Bonds5

About N-[1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide

N-[1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide (PubChem CID 86860953) has the molecular formula C21H36N4O3 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-[1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
PubChem CID86860953
Molecular FormulaC21H36N4O3
Molecular Weight392.54 g/mol
Exact Mass392.28
IUPAC NameN-[1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
SMILESO=C(CN1CCC(NC(=O)C2CCCCC2)CC1)NC(=O)NC1CCCCC1
InChIInChI=1S/C21H36N4O3/c26-19(24-21(28)23-17-9-5-2-6-10-17)15-25-13-11-18(12-14-25)22-20(27)16-7-3-1-4-8-16/h16-18H,1-15H2,(H,22,27)(H2,23,24,26,28)
InChIKeyWLBWKPHOVMRKNF-UHFFFAOYSA-N
XLogP2.31
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide
CID 8895713
2-(4-aminopiperidin-1-yl)-N-(cyclohexylcarbamoyl)acetamide
CID 43556566
N-(cyclohexylcarbamoyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2655086
N-(cyclohexylcarbamoyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905800
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide
CID 16599138
N-[1-(2-methylprop-2-enyl)piperidin-4-yl]cyclohexanecarboxamide
CID 86860914
N-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37472472
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
N-(cyclopentylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43162551
tert-butyl 4-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]piperazine-1-carboxylate
CID 34196633
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclodecylcyclododecanecarboxamide
CID 135182352

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide (CID 86860953) is N-[1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide is O=C(CN1CCC(NC(=O)C2CCCCC2)CC1)NC(=O)NC1CCCCC1.
What is the InChIKey of N-[1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is WLBWKPHOVMRKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O3/c26-19(24-21(28)23-17-9-5-2-6-10-17)15-25-13-11-18(12-14-25)22-20(27)16-7-3-1-4-8-16/h16-18H,1-15H2,(H,22,27)(H2,23,24,26,28).
What are the key properties of N-[1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide?
N-[1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 392.54 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 86860953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).