1-(3,5-dimethylpiperidin-1-yl)-2-(1-methyltetrazol-5-yl)ethanone

C11H19N5O — CID 110498353

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-(1-methyltetrazol-5-yl)ethanone
SMILESCC1CC(C)CN(C(=O)Cc2nnnn2C)C1
InChIInChI=1S/C11H19N5O/c1-8-4-9(2)7-16(6-8)11(17)5-10-12-13-14-15(10)3/h8-9H,4-7H2,1-3H3
InChIKeyTXFDOSXXOSGOJF-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.26
Rot. Bonds2

About 1-(3,5-dimethylpiperidin-1-yl)-2-(1-methyltetrazol-5-yl)ethanone

1-(3,5-dimethylpiperidin-1-yl)-2-(1-methyltetrazol-5-yl)ethanone (PubChem CID 110498353) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-(1-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-(1-methyltetrazol-5-yl)ethanone
PubChem CID110498353
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-(1-methyltetrazol-5-yl)ethanone
SMILESCC1CC(C)CN(C(=O)Cc2nnnn2C)C1
InChIInChI=1S/C11H19N5O/c1-8-4-9(2)7-16(6-8)11(17)5-10-12-13-14-15(10)3/h8-9H,4-7H2,1-3H3
InChIKeyTXFDOSXXOSGOJF-UHFFFAOYSA-N
XLogP0.26
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Cyclopentyl-1-[3-(1-methyl-1H-1,2,3,4-tetrazol-5-YL)piperidin-1-YL]ethan-1-one
CID 110196517
Cyclopentyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
CID 110196510
4-ethyl-2-methyl-5-{1-[3-(5-methyl-1H-tetrazol-1-yl)propanoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56708152
Cyclopropyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
CID 110196508
3-Cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one
CID 110196515
4-(5-Methyltetrazol-1-yl)-1-piperidin-1-ylbutan-1-one
CID 13103358
1-(4-Acetylpiperazin-1-yl)-4-(1-methyltetrazol-5-yl)butan-1-one
CID 21295324
N-(cyclohexylmethyl)-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide
CID 21295396
5-(1-Methyltetrazol-5-yl)-1-piperidin-1-ylpentan-1-one
CID 21295469
1-(4-Methylpiperidin-1-yl)-2-(5-methyltetrazol-1-yl)ethanone
CID 141278143
N-ethyl-N-[3-(1-methyltetrazol-5-yl)propyl]propanamide
CID 151585517
4-ethyl-5-{1-[3-(5-methyl-1H-tetrazol-1-yl)propanoyl]piperidin-3-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56723349

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-(1-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-(1-methyltetrazol-5-yl)ethanone (CID 110498353) is 1-(3,5-dimethylpiperidin-1-yl)-2-(1-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-(1-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-(1-methyltetrazol-5-yl)ethanone is CC1CC(C)CN(C(=O)Cc2nnnn2C)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-(1-methyltetrazol-5-yl)ethanone?
The InChIKey is TXFDOSXXOSGOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-8-4-9(2)7-16(6-8)11(17)5-10-12-13-14-15(10)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-(1-methyltetrazol-5-yl)ethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-(1-methyltetrazol-5-yl)ethanone has a molecular weight of 237.31 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-(1-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 110498353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).