1-(4-methylcyclohexyl)-3-(2-piperidin-1-ylethyl)urea;propan-2-one

C18H35N3O2 — CID 142100841

IUPAC1-(4-methylcyclohexyl)-3-(2-piperidin-1-ylethyl)urea;propan-2-one
SMILESCC(C)=O.CC1CCC(NC(=O)NCCN2CCCCC2)CC1
InChIInChI=1S/C15H29N3O.C3H6O/c1-13-5-7-14(8-6-13)17-15(19)16-9-12-18-10-3-2-4-11-18;1-3(2)4/h13-14H,2-12H2,1H3,(H2,16,17,19);1-2H3
InChIKeyXNOJYHRZZHAMJI-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.95
Rot. Bonds4

About 1-(4-methylcyclohexyl)-3-(2-piperidin-1-ylethyl)urea;propan-2-one

1-(4-methylcyclohexyl)-3-(2-piperidin-1-ylethyl)urea;propan-2-one (PubChem CID 142100841) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-3-(2-piperidin-1-ylethyl)urea;propan-2-one.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-3-(2-piperidin-1-ylethyl)urea;propan-2-one
PubChem CID142100841
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Name1-(4-methylcyclohexyl)-3-(2-piperidin-1-ylethyl)urea;propan-2-one
SMILESCC(C)=O.CC1CCC(NC(=O)NCCN2CCCCC2)CC1
InChIInChI=1S/C15H29N3O.C3H6O/c1-13-5-7-14(8-6-13)17-15(19)16-9-12-18-10-3-2-4-11-18;1-3(2)4/h13-14H,2-12H2,1H3,(H2,16,17,19);1-2H3
InChIKeyXNOJYHRZZHAMJI-UHFFFAOYSA-N
XLogP2.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea
CID 115617971
1-cyclopropyl-3-(3-piperidin-1-ylpropyl)urea
CID 55457976
3-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030259
1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea
CID 110446919
1-cyclohexyl-3-(2-piperazin-1-ylethyl)urea
CID 4056008
1-cycloheptyl-3-(2-morpholin-4-ylethyl)urea
CID 47163906
1-(4-methylcycloheptyl)-3-propylurea
CID 102795126
cis-(1R,3S)-3-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106326297
4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine;dihydrochloride
CID 154577414
1-cyclopentyl-3-[4-(3-methylpiperidin-1-yl)butyl]urea
CID 86998859
N-[3-(2-piperidin-1-ylethylcarbamoylamino)propyl]acetamide
CID 20736239
1-octyl-3-(2-piperidin-1-ylethyl)urea
CID 139652292

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-3-(2-piperidin-1-ylethyl)urea;propan-2-one?
The IUPAC name of 1-(4-methylcyclohexyl)-3-(2-piperidin-1-ylethyl)urea;propan-2-one (CID 142100841) is 1-(4-methylcyclohexyl)-3-(2-piperidin-1-ylethyl)urea;propan-2-one.
What is the SMILES notation for 1-(4-methylcyclohexyl)-3-(2-piperidin-1-ylethyl)urea;propan-2-one?
The canonical SMILES for 1-(4-methylcyclohexyl)-3-(2-piperidin-1-ylethyl)urea;propan-2-one is CC(C)=O.CC1CCC(NC(=O)NCCN2CCCCC2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-3-(2-piperidin-1-ylethyl)urea;propan-2-one?
The InChIKey is XNOJYHRZZHAMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O.C3H6O/c1-13-5-7-14(8-6-13)17-15(19)16-9-12-18-10-3-2-4-11-18;1-3(2)4/h13-14H,2-12H2,1H3,(H2,16,17,19);1-2H3.
What are the key properties of 1-(4-methylcyclohexyl)-3-(2-piperidin-1-ylethyl)urea;propan-2-one?
1-(4-methylcyclohexyl)-3-(2-piperidin-1-ylethyl)urea;propan-2-one has a molecular weight of 325.50 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-3-(2-piperidin-1-ylethyl)urea;propan-2-one is sourced from PubChem (CID 142100841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).