3-[4-[(3-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid

C20H25FN2O4 — CID 120549857

IUPAC3-[4-[(3-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)C1
InChIInChI=1S/C20H25FN2O4/c21-16-5-2-6-17(12-16)22-18(24)13-7-9-23(10-8-13)19(25)14-3-1-4-15(11-14)20(26)27/h2,5-6,12-15H,1,3-4,7-11H2,(H,22,24)(H,26,27)
InChIKeyOJPVZJCGYFLWGQ-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.89
Rot. Bonds4

About 3-[4-[(3-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid

3-[4-[(3-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid (PubChem CID 120549857) has the molecular formula C20H25FN2O4 and a molecular weight of 376.43 g/mol. Its IUPAC name is 3-[4-[(3-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[4-[(3-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
PubChem CID120549857
Molecular FormulaC20H25FN2O4
Molecular Weight376.43 g/mol
Exact Mass376.18
IUPAC Name3-[4-[(3-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)C1
InChIInChI=1S/C20H25FN2O4/c21-16-5-2-6-17(12-16)22-18(24)13-7-9-23(10-8-13)19(25)14-3-1-4-15(11-14)20(26)27/h2,5-6,12-15H,1,3-4,7-11H2,(H,22,24)(H,26,27)
InChIKeyOJPVZJCGYFLWGQ-UHFFFAOYSA-N
XLogP2.89
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 7832111
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
3-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120551532
4-N-(3-fluorophenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113008251
3-[(3,5-difluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783799
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
1-[(2R)-2-aminopropanoyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119314077
3-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120549472
(3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 9068167
N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008221
N-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 802933

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[4-[(3-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid (CID 120549857) is 3-[4-[(3-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[4-[(3-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[4-[(3-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(C(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)C1.
What is the InChIKey of 3-[4-[(3-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is OJPVZJCGYFLWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4/c21-16-5-2-6-17(12-16)22-18(24)13-7-9-23(10-8-13)19(25)14-3-1-4-15(11-14)20(26)27/h2,5-6,12-15H,1,3-4,7-11H2,(H,22,24)(H,26,27).
What are the key properties of 3-[4-[(3-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
3-[4-[(3-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 376.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120549857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).