1-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride

C19H35ClN4O2 — CID 119304292

IUPAC1-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride
SMILESCl.NC1(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)CCCCC1
InChIInChI=1S/C19H34N4O2.ClH/c20-19(11-5-2-6-12-19)17(24)23-13-9-16(10-14-23)22-18(25)21-15-7-3-1-4-8-15;/h15-16H,1-14,20H2,(H2,21,22,25);1H
InChIKeyITYJBKIBTNQSTN-UHFFFAOYSA-N
MW386.97 g/mol
LogP2.69
Rot. Bonds3

About 1-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride

1-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride (PubChem CID 119304292) has the molecular formula C19H35ClN4O2 and a molecular weight of 386.97 g/mol. Its IUPAC name is 1-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride.

Molecular Properties

Compound Name1-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride
PubChem CID119304292
Molecular FormulaC19H35ClN4O2
Molecular Weight386.97 g/mol
Exact Mass386.24
IUPAC Name1-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride
SMILESCl.NC1(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)CCCCC1
InChIInChI=1S/C19H34N4O2.ClH/c20-19(11-5-2-6-12-19)17(24)23-13-9-16(10-14-23)22-18(25)21-15-7-3-1-4-8-15;/h15-16H,1-14,20H2,(H2,21,22,25);1H
InChIKeyITYJBKIBTNQSTN-UHFFFAOYSA-N
XLogP2.69
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.97
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-aminocyclopentanecarbonyl)-N-cyclohexylpiperazine-1-carboxamide
CID 119291514
N-[1-(1-aminocyclobutanecarbonyl)piperidin-4-yl]propanamide
CID 81173098
N-[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]acetamide;hydrochloride
CID 119288778
(1-aminocyclopentyl)-(azepan-1-yl)methanone
CID 60867017
(1-aminocyclopentyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride
CID 119843053
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone
CID 119307245
1-(1-aminocyclohexanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 43579511
N-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]propanamide
CID 65466835
N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
CID 119306959
1-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119278564
1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-cyclohexylurea
CID 119304295
(1-aminocyclopentyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 54916657

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride?
The IUPAC name of 1-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride (CID 119304292) is 1-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride.
What is the SMILES notation for 1-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride?
The canonical SMILES for 1-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride is Cl.NC1(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)CCCCC1.
What is the InChIKey of 1-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride?
The InChIKey is ITYJBKIBTNQSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2.ClH/c20-19(11-5-2-6-12-19)17(24)23-13-9-16(10-14-23)22-18(25)21-15-7-3-1-4-8-15;/h15-16H,1-14,20H2,(H2,21,22,25);1H.
What are the key properties of 1-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride?
1-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride has a molecular weight of 386.97 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride is sourced from PubChem (CID 119304292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).