1-[1-[(3-fluorophenyl)carbamoylamino]cyclohexanecarbonyl]piperidine-4-carboxamide

C20H27FN4O3 — CID 6487867

IUPAC1-[1-[(3-fluorophenyl)carbamoylamino]cyclohexanecarbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2(NC(=O)Nc3cccc(F)c3)CCCCC2)CC1
InChIInChI=1S/C20H27FN4O3/c21-15-5-4-6-16(13-15)23-19(28)24-20(9-2-1-3-10-20)18(27)25-11-7-14(8-12-25)17(22)26/h4-6,13-14H,1-3,7-12H2,(H2,22,26)(H2,23,24,28)
InChIKeyPMDFBMNFUQEYAT-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.37
Rot. Bonds4

About 1-[1-[(3-fluorophenyl)carbamoylamino]cyclohexanecarbonyl]piperidine-4-carboxamide

1-[1-[(3-fluorophenyl)carbamoylamino]cyclohexanecarbonyl]piperidine-4-carboxamide (PubChem CID 6487867) has the molecular formula C20H27FN4O3 and a molecular weight of 390.46 g/mol. Its IUPAC name is 1-[1-[(3-fluorophenyl)carbamoylamino]cyclohexanecarbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(3-fluorophenyl)carbamoylamino]cyclohexanecarbonyl]piperidine-4-carboxamide
PubChem CID6487867
Molecular FormulaC20H27FN4O3
Molecular Weight390.46 g/mol
Exact Mass390.21
IUPAC Name1-[1-[(3-fluorophenyl)carbamoylamino]cyclohexanecarbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2(NC(=O)Nc3cccc(F)c3)CCCCC2)CC1
InChIInChI=1S/C20H27FN4O3/c21-15-5-4-6-16(13-15)23-19(28)24-20(9-2-1-3-10-20)18(27)25-11-7-14(8-12-25)17(22)26/h4-6,13-14H,1-3,7-12H2,(H2,22,26)(H2,23,24,28)
InChIKeyPMDFBMNFUQEYAT-UHFFFAOYSA-N
XLogP2.37
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(3-fluorophenyl)carbamoylamino]cyclohexanecarbonyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-fluorophenyl)carbamoylamino]cyclohexanecarbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(3-fluorophenyl)carbamoylamino]cyclohexanecarbonyl]piperidine-4-carboxamide (CID 6487867) is 1-[1-[(3-fluorophenyl)carbamoylamino]cyclohexanecarbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(3-fluorophenyl)carbamoylamino]cyclohexanecarbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(3-fluorophenyl)carbamoylamino]cyclohexanecarbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)C2(NC(=O)Nc3cccc(F)c3)CCCCC2)CC1.
What is the InChIKey of 1-[1-[(3-fluorophenyl)carbamoylamino]cyclohexanecarbonyl]piperidine-4-carboxamide?
The InChIKey is PMDFBMNFUQEYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O3/c21-15-5-4-6-16(13-15)23-19(28)24-20(9-2-1-3-10-20)18(27)25-11-7-14(8-12-25)17(22)26/h4-6,13-14H,1-3,7-12H2,(H2,22,26)(H2,23,24,28).
What are the key properties of 1-[1-[(3-fluorophenyl)carbamoylamino]cyclohexanecarbonyl]piperidine-4-carboxamide?
1-[1-[(3-fluorophenyl)carbamoylamino]cyclohexanecarbonyl]piperidine-4-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-fluorophenyl)carbamoylamino]cyclohexanecarbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 6487867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).