1-(1-acetylpiperidin-4-yl)-3-(4,4-dimethylcyclohexyl)urea

C16H29N3O2 — CID 53317890

IUPAC1-(1-acetylpiperidin-4-yl)-3-(4,4-dimethylcyclohexyl)urea
SMILESCC(=O)N1CCC(NC(=O)NC2CCC(C)(C)CC2)CC1
InChIInChI=1S/C16H29N3O2/c1-12(20)19-10-6-14(7-11-19)18-15(21)17-13-4-8-16(2,3)9-5-13/h13-14H,4-11H2,1-3H3,(H2,17,18,21)
InChIKeyUDPVDDGIONATCV-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.27
Rot. Bonds2

About 1-(1-acetylpiperidin-4-yl)-3-(4,4-dimethylcyclohexyl)urea

1-(1-acetylpiperidin-4-yl)-3-(4,4-dimethylcyclohexyl)urea (PubChem CID 53317890) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-(4,4-dimethylcyclohexyl)urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-(4,4-dimethylcyclohexyl)urea
PubChem CID53317890
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-(4,4-dimethylcyclohexyl)urea
SMILESCC(=O)N1CCC(NC(=O)NC2CCC(C)(C)CC2)CC1
InChIInChI=1S/C16H29N3O2/c1-12(20)19-10-6-14(7-11-19)18-15(21)17-13-4-8-16(2,3)9-5-13/h13-14H,4-11H2,1-3H3,(H2,17,18,21)
InChIKeyUDPVDDGIONATCV-UHFFFAOYSA-N
XLogP2.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(4,4-dimethylcyclohexyl)urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(4,4-dimethylcyclohexyl)urea (CID 53317890) is 1-(1-acetylpiperidin-4-yl)-3-(4,4-dimethylcyclohexyl)urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-(4,4-dimethylcyclohexyl)urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-(4,4-dimethylcyclohexyl)urea is CC(=O)N1CCC(NC(=O)NC2CCC(C)(C)CC2)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-(4,4-dimethylcyclohexyl)urea?
The InChIKey is UDPVDDGIONATCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12(20)19-10-6-14(7-11-19)18-15(21)17-13-4-8-16(2,3)9-5-13/h13-14H,4-11H2,1-3H3,(H2,17,18,21).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-(4,4-dimethylcyclohexyl)urea?
1-(1-acetylpiperidin-4-yl)-3-(4,4-dimethylcyclohexyl)urea has a molecular weight of 295.43 g/mol, XLogP of 2.27, 2 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)-3-(4,4-dimethylcyclohexyl)urea is sourced from PubChem (CID 53317890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).