1-(3-fluorobenzoyl)-N-pentan-3-ylpiperidine-4-carboxamide

C18H25FN2O2 — CID 17223719

IUPAC1-(3-fluorobenzoyl)-N-pentan-3-ylpiperidine-4-carboxamide
SMILESCCC(CC)NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C18H25FN2O2/c1-3-16(4-2)20-17(22)13-8-10-21(11-9-13)18(23)14-6-5-7-15(19)12-14/h5-7,12-13,16H,3-4,8-11H2,1-2H3,(H,20,22)
InChIKeyDKPVCAXHQGRREK-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.98
Rot. Bonds5

About 1-(3-fluorobenzoyl)-N-pentan-3-ylpiperidine-4-carboxamide

1-(3-fluorobenzoyl)-N-pentan-3-ylpiperidine-4-carboxamide (PubChem CID 17223719) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-(3-fluorobenzoyl)-N-pentan-3-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-fluorobenzoyl)-N-pentan-3-ylpiperidine-4-carboxamide
PubChem CID17223719
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name1-(3-fluorobenzoyl)-N-pentan-3-ylpiperidine-4-carboxamide
SMILESCCC(CC)NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C18H25FN2O2/c1-3-16(4-2)20-17(22)13-8-10-21(11-9-13)18(23)14-6-5-7-15(19)12-14/h5-7,12-13,16H,3-4,8-11H2,1-2H3,(H,20,22)
InChIKeyDKPVCAXHQGRREK-UHFFFAOYSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzoyl-N-pentan-3-ylpiperidine-4-carboxamide
CID 17018973
1-(3-fluorobenzoyl)-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide
CID 17223785
N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110820378
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
N-[4-(diethylamino)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 113008104
1-(3-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17223612
propyl 4-[[1-(3-fluorobenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 17223615
[1-(3-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 1438163
N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008221
N-(3-chloro-4-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223687
N-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199454
N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]propanamide
CID 95051620

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorobenzoyl)-N-pentan-3-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-fluorobenzoyl)-N-pentan-3-ylpiperidine-4-carboxamide (CID 17223719) is 1-(3-fluorobenzoyl)-N-pentan-3-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-fluorobenzoyl)-N-pentan-3-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-fluorobenzoyl)-N-pentan-3-ylpiperidine-4-carboxamide is CCC(CC)NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorobenzoyl)-N-pentan-3-ylpiperidine-4-carboxamide?
The InChIKey is DKPVCAXHQGRREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-3-16(4-2)20-17(22)13-8-10-21(11-9-13)18(23)14-6-5-7-15(19)12-14/h5-7,12-13,16H,3-4,8-11H2,1-2H3,(H,20,22).
What are the key properties of 1-(3-fluorobenzoyl)-N-pentan-3-ylpiperidine-4-carboxamide?
1-(3-fluorobenzoyl)-N-pentan-3-ylpiperidine-4-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorobenzoyl)-N-pentan-3-ylpiperidine-4-carboxamide is sourced from PubChem (CID 17223719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).