N-[3-chloro-5-(trifluoromethyl)phenyl]-6-oxopiperidine-3-carboxamide

C13H12ClF3N2O2 — CID 116700756

IUPACN-[3-chloro-5-(trifluoromethyl)phenyl]-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CN1
InChIInChI=1S/C13H12ClF3N2O2/c14-9-3-8(13(15,16)17)4-10(5-9)19-12(21)7-1-2-11(20)18-6-7/h3-5,7H,1-2,6H2,(H,18,20)(H,19,21)
InChIKeyTUNZVRQDHQBAIF-UHFFFAOYSA-N
MW320.70 g/mol
LogP2.82
Rot. Bonds2

About N-[3-chloro-5-(trifluoromethyl)phenyl]-6-oxopiperidine-3-carboxamide

N-[3-chloro-5-(trifluoromethyl)phenyl]-6-oxopiperidine-3-carboxamide (PubChem CID 116700756) has the molecular formula C13H12ClF3N2O2 and a molecular weight of 320.70 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)phenyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)phenyl]-6-oxopiperidine-3-carboxamide
PubChem CID116700756
Molecular FormulaC13H12ClF3N2O2
Molecular Weight320.70 g/mol
Exact Mass320.05
IUPAC NameN-[3-chloro-5-(trifluoromethyl)phenyl]-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CN1
InChIInChI=1S/C13H12ClF3N2O2/c14-9-3-8(13(15,16)17)4-10(5-9)19-12(21)7-1-2-11(20)18-6-7/h3-5,7H,1-2,6H2,(H,18,20)(H,19,21)
InChIKeyTUNZVRQDHQBAIF-UHFFFAOYSA-N
XLogP2.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.70
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 116699700
3-chloro-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83192367
N-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide
CID 78594911
(3S)-N-(3,5-dichloro-4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 95279970
N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 78272138
6-oxo-N-[4-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide
CID 76871986
N-(3-bromo-5-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 104938577
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide
CID 120604551
4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclopent-2-ene-1-carboxamide
CID 116699756
1-[3-chloro-5-(trifluoromethyl)phenyl]-3-cyclobutylurea
CID 116699316
(3R)-N-(4-fluoro-3-pyrrol-1-ylphenyl)-6-oxopiperidine-3-carboxamide
CID 96501783
N-[4-(difluoromethoxy)-3-fluorophenyl]-6-oxopiperidine-3-carboxamide
CID 112732263

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(trifluoromethyl)phenyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)phenyl]-6-oxopiperidine-3-carboxamide (CID 116700756) is N-[3-chloro-5-(trifluoromethyl)phenyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)phenyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)phenyl]-6-oxopiperidine-3-carboxamide is O=C1CCC(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CN1.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)phenyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is TUNZVRQDHQBAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2O2/c14-9-3-8(13(15,16)17)4-10(5-9)19-12(21)7-1-2-11(20)18-6-7/h3-5,7H,1-2,6H2,(H,18,20)(H,19,21).
What are the key properties of N-[3-chloro-5-(trifluoromethyl)phenyl]-6-oxopiperidine-3-carboxamide?
N-[3-chloro-5-(trifluoromethyl)phenyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 320.70 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(trifluoromethyl)phenyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 116700756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).