1-(2-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone

C14H18N6O — CID 646582

IUPAC1-(2-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone
SMILESCC1CCCCN1C(=O)Cn1nnc(-c2cccnc2)n1
InChIInChI=1S/C14H18N6O/c1-11-5-2-3-8-19(11)13(21)10-20-17-14(16-18-20)12-6-4-7-15-9-12/h4,6-7,9,11H,2-3,5,8,10H2,1H3
InChIKeyPSNPWEOYFUYIIB-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.14
Rot. Bonds3

About 1-(2-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone

1-(2-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone (PubChem CID 646582) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone
PubChem CID646582
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name1-(2-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone
SMILESCC1CCCCN1C(=O)Cn1nnc(-c2cccnc2)n1
InChIInChI=1S/C14H18N6O/c1-11-5-2-3-8-19(11)13(21)10-20-17-14(16-18-20)12-6-4-7-15-9-12/h4,6-7,9,11H,2-3,5,8,10H2,1H3
InChIKeyPSNPWEOYFUYIIB-UHFFFAOYSA-N
XLogP1.14
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(3-fluorophenyl)tetrazol-2-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 46806692
2-(5-pyridin-3-yltetrazol-2-yl)-1-pyrrolidin-1-ylethanone
CID 860955
2-(5-phenyltetrazol-2-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 134813305
1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 55563635
N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyridine-3-carboxamide
CID 95272247
2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 46806674
1-(2-methylpiperidin-1-yl)-2-[4-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 164633722
1-(4-fluorophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone
CID 860973
2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 95633290
(2-methylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 22427477
N-(2,3-dihydro-1H-inden-5-yl)-2-(5-pyridin-3-yltetrazol-2-yl)acetamide
CID 3213439
(2R)-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119370606

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone?
The IUPAC name of 1-(2-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone (CID 646582) is 1-(2-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone is CC1CCCCN1C(=O)Cn1nnc(-c2cccnc2)n1.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone?
The InChIKey is PSNPWEOYFUYIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-11-5-2-3-8-19(11)13(21)10-20-17-14(16-18-20)12-6-4-7-15-9-12/h4,6-7,9,11H,2-3,5,8,10H2,1H3.
What are the key properties of 1-(2-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone?
1-(2-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone has a molecular weight of 286.34 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone is sourced from PubChem (CID 646582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).