3-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one

C8H13N5O — CID 107044552

IUPAC3-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one
SMILESCn1nnc(CC2CNCCC2=O)n1
InChIInChI=1S/C8H13N5O/c1-13-11-8(10-12-13)4-6-5-9-3-2-7(6)14/h6,9H,2-5H2,1H3
InChIKeyDNUNMROLBGXEGS-UHFFFAOYSA-N
MW195.23 g/mol
LogP-1.07
Rot. Bonds2

About 3-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one

3-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one (PubChem CID 107044552) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 3-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one.

Molecular Properties

Compound Name3-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one
PubChem CID107044552
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name3-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one
SMILESCn1nnc(CC2CNCCC2=O)n1
InChIInChI=1S/C8H13N5O/c1-13-11-8(10-12-13)4-6-5-9-3-2-7(6)14/h6,9H,2-5H2,1H3
InChIKeyDNUNMROLBGXEGS-UHFFFAOYSA-N
XLogP-1.07
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one
CID 107043040
2-[(2-Methyltetrazol-5-yl)methyl]piperidine-3-carboxamide
CID 107054758
3-[(2-Methyltetrazol-5-yl)methyl]piperidin-2-one
CID 107061686
2-(2-Methyltetrazol-5-yl)-1-piperidin-4-ylethanone
CID 107061723
2-(2-Methyltetrazol-5-yl)-1-piperidin-3-ylethanone
CID 107061730
5-(Methylamino)-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107061830
1-(2-Methyltetrazol-5-yl)-5-(propan-2-ylamino)pentan-2-one
CID 107061860
1-(2-Methyltetrazol-5-yl)-3-piperidin-4-ylpropan-2-one
CID 107061884
1-(2-Methyltetrazol-5-yl)-4-piperidin-3-ylbutan-2-one
CID 107061925
1-(2-Methyltetrazol-5-yl)-4-piperidin-4-ylbutan-2-one
CID 107061940
1-(2-Methyltetrazol-5-yl)-3-piperidin-3-ylpropan-2-one
CID 107061949
4-(Ethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107061963

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one?
The IUPAC name of 3-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one (CID 107044552) is 3-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one.
What is the SMILES notation for 3-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one?
The canonical SMILES for 3-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one is Cn1nnc(CC2CNCCC2=O)n1.
What is the InChIKey of 3-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one?
The InChIKey is DNUNMROLBGXEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-13-11-8(10-12-13)4-6-5-9-3-2-7(6)14/h6,9H,2-5H2,1H3.
What are the key properties of 3-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one?
3-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one has a molecular weight of 195.23 g/mol, XLogP of -1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one is sourced from PubChem (CID 107044552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).