N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-2-carboxamide

C14H17FN6O — CID 119313677

IUPACN-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-2-carboxamide
SMILESCc1nnnn1-c1cc(NC(=O)C2CCCCN2)ccc1F
InChIInChI=1S/C14H17FN6O/c1-9-18-19-20-21(9)13-8-10(5-6-11(13)15)17-14(22)12-4-2-3-7-16-12/h5-6,8,12,16H,2-4,7H2,1H3,(H,17,22)
InChIKeyNHSROUGKRDPMMX-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.19
Rot. Bonds3

About N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-2-carboxamide

N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-2-carboxamide (PubChem CID 119313677) has the molecular formula C14H17FN6O and a molecular weight of 304.33 g/mol. Its IUPAC name is N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-2-carboxamide
PubChem CID119313677
Molecular FormulaC14H17FN6O
Molecular Weight304.33 g/mol
Exact Mass304.14
IUPAC NameN-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-2-carboxamide
SMILESCc1nnnn1-c1cc(NC(=O)C2CCCCN2)ccc1F
InChIInChI=1S/C14H17FN6O/c1-9-18-19-20-21(9)13-8-10(5-6-11(13)15)17-14(22)12-4-2-3-7-16-12/h5-6,8,12,16H,2-4,7H2,1H3,(H,17,22)
InChIKeyNHSROUGKRDPMMX-UHFFFAOYSA-N
XLogP1.19
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 62814041
(2R,3S)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120930079
(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide
CID 62812681
(2R)-N-(3-carbamoyl-4-fluorophenyl)piperidine-2-carboxamide
CID 103808664
N-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide
CID 115733745
N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 18073046
N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]piperidine-2-carboxamide
CID 119330858
(3R)-3-ethyl-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
CID 95320044
(2R)-N-[4-fluoro-3-(methanesulfonamido)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119702945
N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 43432164
(2R)-N-(3-hydroxy-4-methylphenyl)piperidine-2-carboxamide
CID 107701571
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 119313715

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-2-carboxamide?
The IUPAC name of N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-2-carboxamide (CID 119313677) is N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-2-carboxamide is Cc1nnnn1-c1cc(NC(=O)C2CCCCN2)ccc1F.
What is the InChIKey of N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-2-carboxamide?
The InChIKey is NHSROUGKRDPMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN6O/c1-9-18-19-20-21(9)13-8-10(5-6-11(13)15)17-14(22)12-4-2-3-7-16-12/h5-6,8,12,16H,2-4,7H2,1H3,(H,17,22).
What are the key properties of N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-2-carboxamide?
N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-2-carboxamide has a molecular weight of 304.33 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 119313677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).