1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-phenylurea

C19H27N3O3 — CID 6487848

IUPAC1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1(C(=O)N2CCC(O)CC2)CCCCC1
InChIInChI=1S/C19H27N3O3/c23-16-9-13-22(14-10-16)17(24)19(11-5-2-6-12-19)21-18(25)20-15-7-3-1-4-8-15/h1,3-4,7-8,16,23H,2,5-6,9-14H2,(H2,20,21,25)
InChIKeyCHLYANWLIAJGTM-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.49
Rot. Bonds3

About 1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-phenylurea

1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-phenylurea (PubChem CID 6487848) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-phenylurea
PubChem CID6487848
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1(C(=O)N2CCC(O)CC2)CCCCC1
InChIInChI=1S/C19H27N3O3/c23-16-9-13-22(14-10-16)17(24)19(11-5-2-6-12-19)21-18(25)20-15-7-3-1-4-8-15/h1,3-4,7-8,16,23H,2,5-6,9-14H2,(H2,20,21,25)
InChIKeyCHLYANWLIAJGTM-UHFFFAOYSA-N
XLogP2.49
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(azepane-1-carbonyl)cyclohexyl]-3-(4-methoxyphenyl)urea
CID 654353
(1-anilinocyclopentyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 166781988
1-(4-methoxyphenyl)-3-[1-[(3S)-3-methylpiperidine-1-carbonyl]cyclohexyl]urea
CID 7441712
ethyl 1-[1-[(2-chlorophenyl)carbamoylamino]cyclohexanecarbonyl]piperidine-4-carboxylate
CID 650262
N-butan-2-yl-1-(phenylcarbamoylamino)cyclohexane-1-carboxamide
CID 3221292
1-(2-methylphenyl)-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea
CID 1444536
1-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopentyl]-3-benzylurea
CID 119409296
1-phenyl-3-[1-(1-phenylcyclobutanecarbonyl)piperidin-4-yl]urea
CID 86834895
1-[1-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]cyclohexyl]-3-(2-methylphenyl)urea
CID 1444537
1-[(4-fluorophenyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 43163270
1-(1-ethynylcyclohexyl)-3-phenylurea
CID 2806516
1-[(4-bromophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190823

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-phenylurea?
The IUPAC name of 1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-phenylurea (CID 6487848) is 1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-phenylurea.
What is the SMILES notation for 1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-phenylurea?
The canonical SMILES for 1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-phenylurea is O=C(Nc1ccccc1)NC1(C(=O)N2CCC(O)CC2)CCCCC1.
What is the InChIKey of 1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-phenylurea?
The InChIKey is CHLYANWLIAJGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-16-9-13-22(14-10-16)17(24)19(11-5-2-6-12-19)21-18(25)20-15-7-3-1-4-8-15/h1,3-4,7-8,16,23H,2,5-6,9-14H2,(H2,20,21,25).
What are the key properties of 1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-phenylurea?
1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-phenylurea has a molecular weight of 345.44 g/mol, XLogP of 2.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-phenylurea is sourced from PubChem (CID 6487848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).