4-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)cyclohexyl]piperidine-1-carboxamide

C21H39N5O2 — CID 167819747

IUPAC4-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)cyclohexyl]piperidine-1-carboxamide
SMILESCN(C)C1CCCCC1NC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C21H39N5O2/c1-25(2)19-11-7-6-10-18(19)24-21(28)26-14-12-17(13-15-26)23-20(27)22-16-8-4-3-5-9-16/h16-19H,3-15H2,1-2H3,(H,24,28)(H2,22,23,27)
InChIKeyKTQNFNGQHBELJH-UHFFFAOYSA-N
MW393.58 g/mol
LogP2.67
Rot. Bonds4

About 4-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)cyclohexyl]piperidine-1-carboxamide

4-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)cyclohexyl]piperidine-1-carboxamide (PubChem CID 167819747) has the molecular formula C21H39N5O2 and a molecular weight of 393.58 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)cyclohexyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)cyclohexyl]piperidine-1-carboxamide
PubChem CID167819747
Molecular FormulaC21H39N5O2
Molecular Weight393.58 g/mol
Exact Mass393.31
IUPAC Name4-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)cyclohexyl]piperidine-1-carboxamide
SMILESCN(C)C1CCCCC1NC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C21H39N5O2/c1-25(2)19-11-7-6-10-18(19)24-21(28)26-14-12-17(13-15-26)23-20(27)22-16-8-4-3-5-9-16/h16-19H,3-15H2,1-2H3,(H,24,28)(H2,22,23,27)
InChIKeyKTQNFNGQHBELJH-UHFFFAOYSA-N
XLogP2.67
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)cyclohexyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxamide
CID 139021398
4-acetamido-N-cyclopentylpiperidine-1-carboxamide
CID 49468459
4-(cyclohexylcarbamoylamino)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide
CID 166321650
N-cyclopentyl-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 115610399
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
methyl 1-(cyclohexylcarbamoyl)piperidine-4-carboxylate
CID 894690
N-cyclohexyl-4-(propanoylamino)piperidine-1-carboxamide
CID 110820925
N-cyclopropyl-4-(dimethylamino)piperidine-1-carboxamide
CID 115580147
4-(cyclohexanecarbonylamino)-N-cyclohexylpiperidine-1-carboxamide
CID 3218389
1-(1-butanoylpiperidin-4-yl)-3-cyclohexylurea
CID 110819357
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-cyclopentylurea
CID 110820027
1-cyclobutyl-3-cyclohexylurea
CID 17217147

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)cyclohexyl]piperidine-1-carboxamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)cyclohexyl]piperidine-1-carboxamide (CID 167819747) is 4-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)cyclohexyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)cyclohexyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)cyclohexyl]piperidine-1-carboxamide is CN(C)C1CCCCC1NC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)cyclohexyl]piperidine-1-carboxamide?
The InChIKey is KTQNFNGQHBELJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N5O2/c1-25(2)19-11-7-6-10-18(19)24-21(28)26-14-12-17(13-15-26)23-20(27)22-16-8-4-3-5-9-16/h16-19H,3-15H2,1-2H3,(H,24,28)(H2,22,23,27).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)cyclohexyl]piperidine-1-carboxamide?
4-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)cyclohexyl]piperidine-1-carboxamide has a molecular weight of 393.58 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)cyclohexyl]piperidine-1-carboxamide is sourced from PubChem (CID 167819747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).