2-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-1-piperidin-1-ylethanone

C16H21N5O — CID 146129081

IUPAC2-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-1-piperidin-1-ylethanone
SMILESCc1ccccc1Cc1nnn(CC(=O)N2CCCCC2)n1
InChIInChI=1S/C16H21N5O/c1-13-7-3-4-8-14(13)11-15-17-19-21(18-15)12-16(22)20-9-5-2-6-10-20/h3-4,7-8H,2,5-6,9-12H2,1H3
InChIKeyMALJACPJYMSVBV-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.58
Rot. Bonds4

About 2-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-1-piperidin-1-ylethanone

2-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-1-piperidin-1-ylethanone (PubChem CID 146129081) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-1-piperidin-1-ylethanone
PubChem CID146129081
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-1-piperidin-1-ylethanone
SMILESCc1ccccc1Cc1nnn(CC(=O)N2CCCCC2)n1
InChIInChI=1S/C16H21N5O/c1-13-7-3-4-8-14(13)11-15-17-19-21(18-15)12-16(22)20-9-5-2-6-10-20/h3-4,7-8H,2,5-6,9-12H2,1H3
InChIKeyMALJACPJYMSVBV-UHFFFAOYSA-N
XLogP1.58
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone
CID 9092211
1-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-methylsulfanylpropan-2-ol
CID 119036682
2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone
CID 744261
2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-pyrrolidin-1-ylethanone
CID 861127
N-[(2-methylphenyl)methyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30738049
1-[(3S)-3-methylpiperidin-1-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone
CID 94015122
2-(5-pyridin-3-yltetrazol-2-yl)-1-pyrrolidin-1-ylethanone
CID 860955
methyl 2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]tetrazol-5-yl]acetate
CID 51103418
N-[(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 108897154
1-piperidin-1-yl-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone
CID 3170932
2-(4-acetyl-5-phenyltriazol-1-yl)-1-piperidin-1-ylethanone
CID 94942791
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]ethanone
CID 4284998

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-1-piperidin-1-ylethanone (CID 146129081) is 2-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-1-piperidin-1-ylethanone is Cc1ccccc1Cc1nnn(CC(=O)N2CCCCC2)n1.
What is the InChIKey of 2-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-1-piperidin-1-ylethanone?
The InChIKey is MALJACPJYMSVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-13-7-3-4-8-14(13)11-15-17-19-21(18-15)12-16(22)20-9-5-2-6-10-20/h3-4,7-8H,2,5-6,9-12H2,1H3.
What are the key properties of 2-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-1-piperidin-1-ylethanone?
2-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-1-piperidin-1-ylethanone has a molecular weight of 299.38 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 146129081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).