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

C20H29N3O3 — CID 6487852

IUPAC1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NC1(C(=O)N2CCC(O)CC2)CCCCC1
InChIInChI=1S/C20H29N3O3/c1-15-7-3-4-8-17(15)21-19(26)22-20(11-5-2-6-12-20)18(25)23-13-9-16(24)10-14-23/h3-4,7-8,16,24H,2,5-6,9-14H2,1H3,(H2,21,22,26)
InChIKeyODQVCTDOLQYJHK-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.80
Rot. Bonds3

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

1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-(2-methylphenyl)urea (PubChem CID 6487852) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-(2-methylphenyl)urea
PubChem CID6487852
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NC1(C(=O)N2CCC(O)CC2)CCCCC1
InChIInChI=1S/C20H29N3O3/c1-15-7-3-4-8-17(15)21-19(26)22-20(11-5-2-6-12-20)18(25)23-13-9-16(24)10-14-23/h3-4,7-8,16,24H,2,5-6,9-14H2,1H3,(H2,21,22,26)
InChIKeyODQVCTDOLQYJHK-UHFFFAOYSA-N
XLogP2.80
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-(2-methylphenyl)urea (CID 6487852) is 1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)NC1(C(=O)N2CCC(O)CC2)CCCCC1.
What is the InChIKey of 1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-(2-methylphenyl)urea?
The InChIKey is ODQVCTDOLQYJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15-7-3-4-8-17(15)21-19(26)22-20(11-5-2-6-12-20)18(25)23-13-9-16(24)10-14-23/h3-4,7-8,16,24H,2,5-6,9-14H2,1H3,(H2,21,22,26).
What are the key properties of 1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-(2-methylphenyl)urea?
1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-(2-methylphenyl)urea has a molecular weight of 359.47 g/mol, XLogP of 2.80, 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-(2-methylphenyl)urea is sourced from PubChem (CID 6487852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).