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

C19H26FN3O3 — CID 6487864

IUPAC1-(3-fluorophenyl)-3-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]urea
SMILESO=C(Nc1cccc(F)c1)NC1(C(=O)N2CCC(O)CC2)CCCCC1
InChIInChI=1S/C19H26FN3O3/c20-14-5-4-6-15(13-14)21-18(26)22-19(9-2-1-3-10-19)17(25)23-11-7-16(24)8-12-23/h4-6,13,16,24H,1-3,7-12H2,(H2,21,22,26)
InChIKeySWIRSACJMMLFSW-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.63
Rot. Bonds3

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

1-(3-fluorophenyl)-3-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]urea (PubChem CID 6487864) has the molecular formula C19H26FN3O3 and a molecular weight of 363.43 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]urea
PubChem CID6487864
Molecular FormulaC19H26FN3O3
Molecular Weight363.43 g/mol
Exact Mass363.20
IUPAC Name1-(3-fluorophenyl)-3-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]urea
SMILESO=C(Nc1cccc(F)c1)NC1(C(=O)N2CCC(O)CC2)CCCCC1
InChIInChI=1S/C19H26FN3O3/c20-14-5-4-6-15(13-14)21-18(26)22-19(9-2-1-3-10-19)17(25)23-11-7-16(24)8-12-23/h4-6,13,16,24H,1-3,7-12H2,(H2,21,22,26)
InChIKeySWIRSACJMMLFSW-UHFFFAOYSA-N
XLogP2.63
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]urea (CID 6487864) is 1-(3-fluorophenyl)-3-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]urea is O=C(Nc1cccc(F)c1)NC1(C(=O)N2CCC(O)CC2)CCCCC1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]urea?
The InChIKey is SWIRSACJMMLFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3/c20-14-5-4-6-15(13-14)21-18(26)22-19(9-2-1-3-10-19)17(25)23-11-7-16(24)8-12-23/h4-6,13,16,24H,1-3,7-12H2,(H2,21,22,26).
What are the key properties of 1-(3-fluorophenyl)-3-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]urea?
1-(3-fluorophenyl)-3-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]urea has a molecular weight of 363.43 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]urea is sourced from PubChem (CID 6487864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).