1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea

C15H27N3O2 — CID 110749270

IUPAC1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea
SMILESCC(=O)N1CCC(CNC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C15H27N3O2/c1-12(19)18-9-7-13(8-10-18)11-16-15(20)17-14-5-3-2-4-6-14/h13-14H,2-11H2,1H3,(H2,16,17,20)
InChIKeyNPULZIQEQMENGM-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.88
Rot. Bonds3

About 1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea

1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea (PubChem CID 110749270) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea
PubChem CID110749270
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea
SMILESCC(=O)N1CCC(CNC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C15H27N3O2/c1-12(19)18-9-7-13(8-10-18)11-16-15(20)17-14-5-3-2-4-6-14/h13-14H,2-11H2,1H3,(H2,16,17,20)
InChIKeyNPULZIQEQMENGM-UHFFFAOYSA-N
XLogP1.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclododecyl-3-(cyclohexylmethyl)urea
CID 108902864
1-(1-acetylpiperidin-4-yl)-3-(oxan-4-ylmethyl)urea
CID 25072677
1-(cyclooctylmethyl)-3-cyclopropylurea
CID 87025156
1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 110749371
1-cyclohexyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108676
1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 113226526
1-(1-acetylpiperidin-4-yl)-3-[[(3R)-1,1-dioxothiolan-3-yl]methyl]urea
CID 95159121
1-cyclopentyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 86817447
1-[[(3R)-1-acetylpiperidin-3-yl]methyl]-3-[4-(hydroxymethyl)cyclohexyl]urea
CID 164639080
1-(cyclobutylmethyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]urea
CID 47186734
1-(1-cyclopentylpiperidin-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea
CID 126777788
1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 86895951

Frequently Asked Questions

What is the IUPAC name of 1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea?
The IUPAC name of 1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea (CID 110749270) is 1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea?
The canonical SMILES for 1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea is CC(=O)N1CCC(CNC(=O)NC2CCCCC2)CC1.
What is the InChIKey of 1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea?
The InChIKey is NPULZIQEQMENGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-12(19)18-9-7-13(8-10-18)11-16-15(20)17-14-5-3-2-4-6-14/h13-14H,2-11H2,1H3,(H2,16,17,20).
What are the key properties of 1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea?
1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea has a molecular weight of 281.40 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea is sourced from PubChem (CID 110749270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).