1-(2-chlorophenyl)-3-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]urea

C19H26ClN3O3 — CID 6487904

IUPAC1-(2-chlorophenyl)-3-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]urea
SMILESO=C(Nc1ccccc1Cl)NC1(C(=O)N2CCC(O)CC2)CCCCC1
InChIInChI=1S/C19H26ClN3O3/c20-15-6-2-3-7-16(15)21-18(26)22-19(10-4-1-5-11-19)17(25)23-12-8-14(24)9-13-23/h2-3,6-7,14,24H,1,4-5,8-13H2,(H2,21,22,26)
InChIKeyHRTFQUMCHJPDFG-UHFFFAOYSA-N
MW379.89 g/mol
LogP3.15
Rot. Bonds3

About 1-(2-chlorophenyl)-3-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]urea

1-(2-chlorophenyl)-3-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]urea (PubChem CID 6487904) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]urea
PubChem CID6487904
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name1-(2-chlorophenyl)-3-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]urea
SMILESO=C(Nc1ccccc1Cl)NC1(C(=O)N2CCC(O)CC2)CCCCC1
InChIInChI=1S/C19H26ClN3O3/c20-15-6-2-3-7-16(15)21-18(26)22-19(10-4-1-5-11-19)17(25)23-12-8-14(24)9-13-23/h2-3,6-7,14,24H,1,4-5,8-13H2,(H2,21,22,26)
InChIKeyHRTFQUMCHJPDFG-UHFFFAOYSA-N
XLogP3.15
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-Hydroxy-piperidine-1-carbonyl)-cyclohexyl]-3-o-tolyl-urea
CID 6487852
1-{1-[3-(2-Chloro-phenyl)-ureido]-cyclohexanecarbonyl}-piperidine-4-carboxylic acid ethyl ester
CID 650262
1-[[(4-chloroanilino)-oxomethyl]amino]-N-[3-(4-morpholinyl)propyl]-1-cyclohexanecarboxamide
CID 646224
1-(3-Fluoro-phenyl)-3-[1-(4-hydroxy-piperidine-1-carbonyl)-cyclohexyl]-urea
CID 6487864
1-(4-chlorophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea
CID 93095549
3-[3-[4-(2-Chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 127028471
1-(2-Chloro-phenyl)-3-[1-(morpholine-4-carbonyl)-cyclohexyl]-urea
CID 1444564
1-[1-(4-Hydroxy-piperidine-1-carbonyl)-cyclohexyl]-3-phenyl-urea
CID 6487848
1-[3-(2-Chloro-phenyl)-ureido]-cyclohexanecarboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
CID 6487905
1-[3-(2-Chloro-phenyl)-ureido]-cyclohexanecarboxylic acid (3-morpholin-4-yl-propyl)-amide
CID 652608
1-(2-Chloro-phenyl)-3-[1-(piperidine-1-carbonyl)-cyclohexyl]-urea
CID 1444563
N-(2-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622581

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]urea (CID 6487904) is 1-(2-chlorophenyl)-3-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]urea is O=C(Nc1ccccc1Cl)NC1(C(=O)N2CCC(O)CC2)CCCCC1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]urea?
The InChIKey is HRTFQUMCHJPDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O3/c20-15-6-2-3-7-16(15)21-18(26)22-19(10-4-1-5-11-19)17(25)23-12-8-14(24)9-13-23/h2-3,6-7,14,24H,1,4-5,8-13H2,(H2,21,22,26).
What are the key properties of 1-(2-chlorophenyl)-3-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]urea?
1-(2-chlorophenyl)-3-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]urea has a molecular weight of 379.89 g/mol, XLogP of 3.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]urea is sourced from PubChem (CID 6487904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).