1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one

C8H13N5O — CID 107043012

IUPAC1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one
SMILESCn1nnc(CN2CCC(=O)CC2)n1
InChIInChI=1S/C8H13N5O/c1-12-10-8(9-11-12)6-13-4-2-7(14)3-5-13/h2-6H2,1H3
InChIKeyYBVMTMMXDAKYLY-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.62
Rot. Bonds2

About 1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one

1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one (PubChem CID 107043012) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one
PubChem CID107043012
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one
SMILESCn1nnc(CN2CCC(=O)CC2)n1
InChIInChI=1S/C8H13N5O/c1-12-10-8(9-11-12)6-13-4-2-7(14)3-5-13/h2-6H2,1H3
InChIKeyYBVMTMMXDAKYLY-UHFFFAOYSA-N
XLogP-0.62
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one
CID 107043040
2-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]ethanamine
CID 107041759
4-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 107044922
3-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]propan-1-amine
CID 107041756
2-[(2-methyltetrazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 107045032
N-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-ylidene]hydroxylamine
CID 107043401
1-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]ethanol
CID 107052605
1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-one
CID 170992112
2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 107044942
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-2-methyltetrazole
CID 107054129
3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane
CID 107056207
2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]acetic acid
CID 107044977

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one?
The IUPAC name of 1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one (CID 107043012) is 1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one.
What is the SMILES notation for 1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one?
The canonical SMILES for 1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one is Cn1nnc(CN2CCC(=O)CC2)n1.
What is the InChIKey of 1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one?
The InChIKey is YBVMTMMXDAKYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-12-10-8(9-11-12)6-13-4-2-7(14)3-5-13/h2-6H2,1H3.
What are the key properties of 1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one?
1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one has a molecular weight of 195.23 g/mol, XLogP of -0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one is sourced from PubChem (CID 107043012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).