1-cyclohexyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea

C15H29N3O — CID 115611118

IUPAC1-cyclohexyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
SMILESCN1CCC(CCNC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C15H29N3O/c1-18-11-8-13(9-12-18)7-10-16-15(19)17-14-5-3-2-4-6-14/h13-14H,2-12H2,1H3,(H2,16,17,19)
InChIKeyKTOFTKQHDMCSBK-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.35
Rot. Bonds4

About 1-cyclohexyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea

1-cyclohexyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea (PubChem CID 115611118) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
PubChem CID115611118
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-cyclohexyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
SMILESCN1CCC(CCNC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C15H29N3O/c1-18-11-8-13(9-12-18)7-10-16-15(19)17-14-5-3-2-4-6-14/h13-14H,2-12H2,1H3,(H2,16,17,19)
InChIKeyKTOFTKQHDMCSBK-UHFFFAOYSA-N
XLogP2.35
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-[2-(1-methylpiperidin-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106320196
N-cyclopentyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide
CID 114515544
1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 110749371
1-(2-hydroxyethyl)-3-(1-methylpiperidin-4-yl)urea
CID 117234476
N-[2-(1-methylpiperidin-4-yl)ethyl]cyclooctanamine
CID 115717422
1-cyclohexyl-3-[2-(1,1-dioxothiolan-3-yl)ethyl]urea
CID 110748171
ethane;N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 145305078
N-cyclohexyl-4-[2-(2-methylpropylcarbamoylamino)ethyl]piperidine-1-carboxamide
CID 46381834
1-cyclohexyl-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea
CID 50822758
1-(1-cyclopentylpiperidin-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea
CID 126777788
3-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 114515725
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 113267480

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea (CID 115611118) is 1-cyclohexyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea is CN1CCC(CCNC(=O)NC2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
The InChIKey is KTOFTKQHDMCSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-18-11-8-13(9-12-18)7-10-16-15(19)17-14-5-3-2-4-6-14/h13-14H,2-12H2,1H3,(H2,16,17,19).
What are the key properties of 1-cyclohexyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
1-cyclohexyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea has a molecular weight of 267.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea is sourced from PubChem (CID 115611118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).