3-methyl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-3-carbonitrile

C11H16N6O — CID 131924559

IUPAC3-methyl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-3-carbonitrile
SMILESCC1(C#N)CCCN(C(=O)CCn2cnnn2)C1
InChIInChI=1S/C11H16N6O/c1-11(7-12)4-2-5-16(8-11)10(18)3-6-17-9-13-14-15-17/h9H,2-6,8H2,1H3
InChIKeyCPASUGPAHKNRQX-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.22
Rot. Bonds3

About 3-methyl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-3-carbonitrile

3-methyl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-3-carbonitrile (PubChem CID 131924559) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-methyl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-3-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-3-carbonitrile
PubChem CID131924559
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name3-methyl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-3-carbonitrile
SMILESCC1(C#N)CCCN(C(=O)CCn2cnnn2)C1
InChIInChI=1S/C11H16N6O/c1-11(7-12)4-2-5-16(8-11)10(18)3-6-17-9-13-14-15-17/h9H,2-6,8H2,1H3
InChIKeyCPASUGPAHKNRQX-UHFFFAOYSA-N
XLogP0.22
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-hydroxy-3,3-dimethylazepan-1-yl)-3-(tetrazol-1-yl)propan-1-one
CID 131891492
1-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 26325656
1-[(3S)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 26325654
1-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(tetrazol-1-yl)propan-1-one
CID 45196357
3-ethyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 63134611
3-methyl-1-[2-(2-methylimidazol-1-yl)acetyl]piperidine-3-carbonitrile
CID 131922462
7-(2-phenylethyl)-2-[3-(tetrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56904394
3-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-3-carbonitrile
CID 131945394
1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 133118804
1-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]-3-methylpiperidine-3-carbonitrile
CID 90652340
3-methyl-1-[2-(4-methylsulfonylphenyl)acetyl]piperidine-3-carbonitrile
CID 131916094
(3R)-1-[2-[4-(dimethylamino)phenyl]acetyl]-3-methylpiperidine-3-carbonitrile
CID 99974497

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-3-carbonitrile?
The IUPAC name of 3-methyl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-3-carbonitrile (CID 131924559) is 3-methyl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-3-carbonitrile.
What is the SMILES notation for 3-methyl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-3-carbonitrile?
The canonical SMILES for 3-methyl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-3-carbonitrile is CC1(C#N)CCCN(C(=O)CCn2cnnn2)C1.
What is the InChIKey of 3-methyl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-3-carbonitrile?
The InChIKey is CPASUGPAHKNRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-11(7-12)4-2-5-16(8-11)10(18)3-6-17-9-13-14-15-17/h9H,2-6,8H2,1H3.
What are the key properties of 3-methyl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-3-carbonitrile?
3-methyl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-3-carbonitrile has a molecular weight of 248.29 g/mol, XLogP of 0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-3-carbonitrile is sourced from PubChem (CID 131924559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).