1-(2-methyltetrazol-5-yl)-2-piperidin-4-ylethanone

C9H15N5O — CID 130758299

IUPAC1-(2-methyltetrazol-5-yl)-2-piperidin-4-ylethanone
SMILESCn1nnc(C(=O)CC2CCNCC2)n1
InChIInChI=1S/C9H15N5O/c1-14-12-9(11-13-14)8(15)6-7-2-4-10-5-3-7/h7,10H,2-6H2,1H3
InChIKeyBKLFHNMDHFFTLC-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.22
Rot. Bonds3

About 1-(2-methyltetrazol-5-yl)-2-piperidin-4-ylethanone

1-(2-methyltetrazol-5-yl)-2-piperidin-4-ylethanone (PubChem CID 130758299) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)-2-piperidin-4-ylethanone
PubChem CID130758299
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name1-(2-methyltetrazol-5-yl)-2-piperidin-4-ylethanone
SMILESCn1nnc(C(=O)CC2CCNCC2)n1
InChIInChI=1S/C9H15N5O/c1-14-12-9(11-13-14)8(15)6-7-2-4-10-5-3-7/h7,10H,2-6H2,1H3
InChIKeyBKLFHNMDHFFTLC-UHFFFAOYSA-N
XLogP-0.22
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-Methyltetrazol-5-yl)methyl]piperidin-4-one
CID 107044552
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
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
1-(4-Methylpiperidin-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107061990
1-(4-Ethylpiperidin-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107061997
1-(3-Ethylpiperidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107062005
1-(3-Methylpiperidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107062015

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)-2-piperidin-4-ylethanone?
The IUPAC name of 1-(2-methyltetrazol-5-yl)-2-piperidin-4-ylethanone (CID 130758299) is 1-(2-methyltetrazol-5-yl)-2-piperidin-4-ylethanone.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)-2-piperidin-4-ylethanone?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)-2-piperidin-4-ylethanone is Cn1nnc(C(=O)CC2CCNCC2)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)-2-piperidin-4-ylethanone?
The InChIKey is BKLFHNMDHFFTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-14-12-9(11-13-14)8(15)6-7-2-4-10-5-3-7/h7,10H,2-6H2,1H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)-2-piperidin-4-ylethanone?
1-(2-methyltetrazol-5-yl)-2-piperidin-4-ylethanone has a molecular weight of 209.25 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltetrazol-5-yl)-2-piperidin-4-ylethanone is sourced from PubChem (CID 130758299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).