1-(3-fluoro-5-methylbenzoyl)piperidine-4-carboxamide

C14H17FN2O2 — CID 119138735

IUPAC1-(3-fluoro-5-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1cc(F)cc(C(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C14H17FN2O2/c1-9-6-11(8-12(15)7-9)14(19)17-4-2-10(3-5-17)13(16)18/h6-8,10H,2-5H2,1H3,(H2,16,18)
InChIKeyAVCGGQNDKWPFMH-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.47
Rot. Bonds2

About 1-(3-fluoro-5-methylbenzoyl)piperidine-4-carboxamide

1-(3-fluoro-5-methylbenzoyl)piperidine-4-carboxamide (PubChem CID 119138735) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-fluoro-5-methylbenzoyl)piperidine-4-carboxamide
PubChem CID119138735
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name1-(3-fluoro-5-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1cc(F)cc(C(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C14H17FN2O2/c1-9-6-11(8-12(15)7-9)14(19)17-4-2-10(3-5-17)13(16)18/h6-8,10H,2-5H2,1H3,(H2,16,18)
InChIKeyAVCGGQNDKWPFMH-UHFFFAOYSA-N
XLogP1.47
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-5-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 119159271
(3-fluoro-5-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559740
[4-(bromomethyl)piperidin-1-yl]-(3-fluoro-5-methylphenyl)methanone
CID 113396040
(3-fluoro-5-methylphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103901004
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
(3-chloro-4-methylpiperidin-1-yl)-(3-fluoro-5-methylphenyl)methanone
CID 102961602
(4-bromo-3-methylpiperidin-1-yl)-(3-fluoro-5-methylphenyl)methanone
CID 114683510
1-(3-bromo-5-methylbenzoyl)piperidine-4-carbothioamide
CID 104851586
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-(3-fluoro-5-methylphenyl)methanone
CID 128716146
1-(6-fluoro-4-methyl-1H-indole-2-carbonyl)piperidine-4-carboxamide
CID 119135616
1-(3-fluoro-5-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162578
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(3-fluoro-5-methylphenyl)methanone
CID 124576168

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-fluoro-5-methylbenzoyl)piperidine-4-carboxamide (CID 119138735) is 1-(3-fluoro-5-methylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-fluoro-5-methylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-fluoro-5-methylbenzoyl)piperidine-4-carboxamide is Cc1cc(F)cc(C(=O)N2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-(3-fluoro-5-methylbenzoyl)piperidine-4-carboxamide?
The InChIKey is AVCGGQNDKWPFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-9-6-11(8-12(15)7-9)14(19)17-4-2-10(3-5-17)13(16)18/h6-8,10H,2-5H2,1H3,(H2,16,18).
What are the key properties of 1-(3-fluoro-5-methylbenzoyl)piperidine-4-carboxamide?
1-(3-fluoro-5-methylbenzoyl)piperidine-4-carboxamide has a molecular weight of 264.30 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 119138735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).