1-[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]piperidin-4-yl]-1-cyclohexylurea

C22H38N4O2 — CID 70308947

IUPAC1-[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]piperidin-4-yl]-1-cyclohexylurea
SMILESNC(=O)N(C1CCCCC1)C1CCN(C2CCN(C(=O)C3CCC3)CC2)CC1
InChIInChI=1S/C22H38N4O2/c23-22(28)26(19-7-2-1-3-8-19)20-11-13-24(14-12-20)18-9-15-25(16-10-18)21(27)17-5-4-6-17/h17-20H,1-16H2,(H2,23,28)
InChIKeyPKABXZMXUFWLHF-UHFFFAOYSA-N
MW390.57 g/mol
LogP2.96
Rot. Bonds4

About 1-[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]piperidin-4-yl]-1-cyclohexylurea

1-[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]piperidin-4-yl]-1-cyclohexylurea (PubChem CID 70308947) has the molecular formula C22H38N4O2 and a molecular weight of 390.57 g/mol. Its IUPAC name is 1-[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]piperidin-4-yl]-1-cyclohexylurea.

Molecular Properties

Compound Name1-[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]piperidin-4-yl]-1-cyclohexylurea
PubChem CID70308947
Molecular FormulaC22H38N4O2
Molecular Weight390.57 g/mol
Exact Mass390.30
IUPAC Name1-[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]piperidin-4-yl]-1-cyclohexylurea
SMILESNC(=O)N(C1CCCCC1)C1CCN(C2CCN(C(=O)C3CCC3)CC2)CC1
InChIInChI=1S/C22H38N4O2/c23-22(28)26(19-7-2-1-3-8-19)20-11-13-24(14-12-20)18-9-15-25(16-10-18)21(27)17-5-4-6-17/h17-20H,1-16H2,(H2,23,28)
InChIKeyPKABXZMXUFWLHF-UHFFFAOYSA-N
XLogP2.96
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-(4-cycloheptylpiperazin-1-yl)methanone
CID 113074947
ethyl 3-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]pyrrolidine-1-carboxylate
CID 143591983
cyclobutyl-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone
CID 131939794
(4-aminocyclohexyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 60953970
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 80553884
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
(4-piperidin-1-ylpiperidin-1-yl)-(4-sulfanylcyclohexyl)methanone
CID 170397887
[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 112815528
cyclohexyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617385

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]piperidin-4-yl]-1-cyclohexylurea?
The IUPAC name of 1-[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]piperidin-4-yl]-1-cyclohexylurea (CID 70308947) is 1-[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]piperidin-4-yl]-1-cyclohexylurea.
What is the SMILES notation for 1-[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]piperidin-4-yl]-1-cyclohexylurea?
The canonical SMILES for 1-[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]piperidin-4-yl]-1-cyclohexylurea is NC(=O)N(C1CCCCC1)C1CCN(C2CCN(C(=O)C3CCC3)CC2)CC1.
What is the InChIKey of 1-[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]piperidin-4-yl]-1-cyclohexylurea?
The InChIKey is PKABXZMXUFWLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O2/c23-22(28)26(19-7-2-1-3-8-19)20-11-13-24(14-12-20)18-9-15-25(16-10-18)21(27)17-5-4-6-17/h17-20H,1-16H2,(H2,23,28).
What are the key properties of 1-[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]piperidin-4-yl]-1-cyclohexylurea?
1-[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]piperidin-4-yl]-1-cyclohexylurea has a molecular weight of 390.57 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]piperidin-4-yl]-1-cyclohexylurea is sourced from PubChem (CID 70308947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).