1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea

C17H33N3O2 — CID 111508183

IUPAC1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
SMILESCCN1CCC(CCNC(=O)NCC2(O)CCCCC2)CC1
InChIInChI=1S/C17H33N3O2/c1-2-20-12-7-15(8-13-20)6-11-18-16(21)19-14-17(22)9-4-3-5-10-17/h15,22H,2-14H2,1H3,(H2,18,19,21)
InChIKeyKHXGPALXWBWMQU-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.10
Rot. Bonds6

About 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea

1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea (PubChem CID 111508183) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
PubChem CID111508183
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
SMILESCCN1CCC(CCNC(=O)NCC2(O)CCCCC2)CC1
InChIInChI=1S/C17H33N3O2/c1-2-20-12-7-15(8-13-20)6-11-18-16(21)19-14-17(22)9-4-3-5-10-17/h15,22H,2-14H2,1H3,(H2,18,19,21)
InChIKeyKHXGPALXWBWMQU-UHFFFAOYSA-N
XLogP2.10
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea with MolForge

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Related Compounds

1-[(1-hydroxycyclohexyl)methyl]-3-[(1-propylpiperidin-4-yl)methyl]urea
CID 110936693
2-(1-ethylpiperidin-4-yl)ethylurea
CID 90844616
1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111508190
1-[(1-hydroxycyclopentyl)methyl]-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea
CID 111861327
1-[(1-hydroxycyclopentyl)methyl]-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 111104052
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 111618803
1-[(2-cyclopropylethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444820
N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-(methylamino)acetamide
CID 120704735
1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104143
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111537146
1-cyclopropyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-hydroxyethyl)urea
CID 111508211
1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111508204

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea?
The IUPAC name of 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea (CID 111508183) is 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea.
What is the SMILES notation for 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea?
The canonical SMILES for 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea is CCN1CCC(CCNC(=O)NCC2(O)CCCCC2)CC1.
What is the InChIKey of 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea?
The InChIKey is KHXGPALXWBWMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-2-20-12-7-15(8-13-20)6-11-18-16(21)19-14-17(22)9-4-3-5-10-17/h15,22H,2-14H2,1H3,(H2,18,19,21).
What are the key properties of 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea?
1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea has a molecular weight of 311.47 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea is sourced from PubChem (CID 111508183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).