1-(1-cyclohexylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea

C18H33N3O2 — CID 111619277

IUPAC1-(1-cyclohexylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea
SMILESO=C(NC1CCN(C2CCCCC2)CC1)NC1CCCCC1O
InChIInChI=1S/C18H33N3O2/c22-17-9-5-4-8-16(17)20-18(23)19-14-10-12-21(13-11-14)15-6-2-1-3-7-15/h14-17,22H,1-13H2,(H2,19,20,23)
InChIKeySEBWNGVADLXBLZ-UHFFFAOYSA-N
MW323.48 g/mol
LogP2.39
Rot. Bonds3

About 1-(1-cyclohexylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea

1-(1-cyclohexylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea (PubChem CID 111619277) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-(1-cyclohexylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-(1-cyclohexylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea
PubChem CID111619277
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name1-(1-cyclohexylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea
SMILESO=C(NC1CCN(C2CCCCC2)CC1)NC1CCCCC1O
InChIInChI=1S/C18H33N3O2/c22-17-9-5-4-8-16(17)20-18(23)19-14-10-12-21(13-11-14)15-6-2-1-3-7-15/h14-17,22H,1-13H2,(H2,19,20,23)
InChIKeySEBWNGVADLXBLZ-UHFFFAOYSA-N
XLogP2.39
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(diethylamino)propyl]-2-(hydroxymethyl)piperidine-1-carboxamide
CID 172436856
3-(2-Hydroxycyclohexyl)-1-methyl-1-octylurea
CID 138974640
1-(2-Fluoroethyl)-3-[1-(2-hydroxycyclohexyl)piperidin-4-yl]urea
CID 121580528
1-(2-fluoroethyl)-3-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]urea
CID 124262077
1-(2-fluoroethyl)-3-[1-[(1R,2S)-2-hydroxycyclohexyl]piperidin-4-yl]urea
CID 124262078
1-(2-fluoroethyl)-3-[1-[(1S,2R)-2-hydroxycyclohexyl]piperidin-4-yl]urea
CID 124299138
1-(2-fluoroethyl)-3-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]urea
CID 124299139
N-cyclohexyl-3-hydroxypiperidine-1-carboxamide
CID 3869043
3-(2-Hydroxycyclohexyl)-1-pentyl-1-propan-2-ylurea
CID 18938493
1-Heptyl-3-(2-hydroxycyclohexyl)-1-propan-2-ylurea
CID 18938495
3-(2-Hydroxycyclohexyl)-1-nonyl-1-propan-2-ylurea
CID 18938500
1-Decyl-3-(2-hydroxycyclohexyl)-1-propan-2-ylurea
CID 18938501

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea?
The IUPAC name of 1-(1-cyclohexylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea (CID 111619277) is 1-(1-cyclohexylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-(1-cyclohexylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea?
The canonical SMILES for 1-(1-cyclohexylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea is O=C(NC1CCN(C2CCCCC2)CC1)NC1CCCCC1O.
What is the InChIKey of 1-(1-cyclohexylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea?
The InChIKey is SEBWNGVADLXBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c22-17-9-5-4-8-16(17)20-18(23)19-14-10-12-21(13-11-14)15-6-2-1-3-7-15/h14-17,22H,1-13H2,(H2,19,20,23).
What are the key properties of 1-(1-cyclohexylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea?
1-(1-cyclohexylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea has a molecular weight of 323.48 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea is sourced from PubChem (CID 111619277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).