3-(1-methyltetrazol-5-yl)-N-phenylpiperidine-1-carboxamide

C14H18N6O — CID 110196501

IUPAC3-(1-methyltetrazol-5-yl)-N-phenylpiperidine-1-carboxamide
SMILESCn1nnnc1C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C14H18N6O/c1-19-13(16-17-18-19)11-6-5-9-20(10-11)14(21)15-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,15,21)
InChIKeyDEGWYFDIFDNYIA-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.62
Rot. Bonds2

About 3-(1-methyltetrazol-5-yl)-N-phenylpiperidine-1-carboxamide

3-(1-methyltetrazol-5-yl)-N-phenylpiperidine-1-carboxamide (PubChem CID 110196501) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-(1-methyltetrazol-5-yl)-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-(1-methyltetrazol-5-yl)-N-phenylpiperidine-1-carboxamide
PubChem CID110196501
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name3-(1-methyltetrazol-5-yl)-N-phenylpiperidine-1-carboxamide
SMILESCn1nnnc1C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C14H18N6O/c1-19-13(16-17-18-19)11-6-5-9-20(10-11)14(21)15-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,15,21)
InChIKeyDEGWYFDIFDNYIA-UHFFFAOYSA-N
XLogP1.62
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-N-phenylpiperidine-1,3-dicarboxamide
CID 47033241
(2-methylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
CID 110196493
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
N-(4-methylphenyl)-5-[(3R)-1-(phenylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879518
5-[(3R)-1-[(3,5-dimethylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879722
3-(cyclohexylamino)-N-phenylpiperidine-1-carboxamide
CID 83999198
3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 91905133
N-(2-methylphenyl)-5-[(3R)-1-(phenylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879452
N-phenyl-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 70760109
5-[(3S)-1-[(4-fluorophenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879761
N-[4-(hydroxymethyl)phenyl]-3-phenylpiperidine-1-carboxamide
CID 166262555
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyltetrazol-5-yl)-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 3-(1-methyltetrazol-5-yl)-N-phenylpiperidine-1-carboxamide (CID 110196501) is 3-(1-methyltetrazol-5-yl)-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 3-(1-methyltetrazol-5-yl)-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 3-(1-methyltetrazol-5-yl)-N-phenylpiperidine-1-carboxamide is Cn1nnnc1C1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 3-(1-methyltetrazol-5-yl)-N-phenylpiperidine-1-carboxamide?
The InChIKey is DEGWYFDIFDNYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-19-13(16-17-18-19)11-6-5-9-20(10-11)14(21)15-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,15,21).
What are the key properties of 3-(1-methyltetrazol-5-yl)-N-phenylpiperidine-1-carboxamide?
3-(1-methyltetrazol-5-yl)-N-phenylpiperidine-1-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyltetrazol-5-yl)-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 110196501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).