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

C20H29N3O4 — CID 652071

IUPAC1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NC1(C(=O)N2CCC(O)CC2)CCCCC1
InChIInChI=1S/C20H29N3O4/c1-27-17-8-4-3-7-16(17)21-19(26)22-20(11-5-2-6-12-20)18(25)23-13-9-15(24)10-14-23/h3-4,7-8,15,24H,2,5-6,9-14H2,1H3,(H2,21,22,26)
InChIKeyZVNOPWORKUQDMY-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.50
Rot. Bonds4

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

1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-(2-methoxyphenyl)urea (PubChem CID 652071) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-(2-methoxyphenyl)urea
PubChem CID652071
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NC1(C(=O)N2CCC(O)CC2)CCCCC1
InChIInChI=1S/C20H29N3O4/c1-27-17-8-4-3-7-16(17)21-19(26)22-20(11-5-2-6-12-20)18(25)23-13-9-15(24)10-14-23/h3-4,7-8,15,24H,2,5-6,9-14H2,1H3,(H2,21,22,26)
InChIKeyZVNOPWORKUQDMY-UHFFFAOYSA-N
XLogP2.50
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-(2-methoxyphenyl)urea (CID 652071) is 1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NC1(C(=O)N2CCC(O)CC2)CCCCC1.
What is the InChIKey of 1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-(2-methoxyphenyl)urea?
The InChIKey is ZVNOPWORKUQDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-27-17-8-4-3-7-16(17)21-19(26)22-20(11-5-2-6-12-20)18(25)23-13-9-15(24)10-14-23/h3-4,7-8,15,24H,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-methoxyphenyl)urea?
1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-(2-methoxyphenyl)urea has a molecular weight of 375.47 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 652071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).