1-(4-pyrrolidin-2-ylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone

C12H20N6O — CID 63259244

IUPAC1-(4-pyrrolidin-2-ylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C12H20N6O/c19-12(8-18-9-14-15-16-18)17-6-3-10(4-7-17)11-2-1-5-13-11/h9-11,13H,1-8H2
InChIKeyPXWGRJGOPJOQPX-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.34
Rot. Bonds3

About 1-(4-pyrrolidin-2-ylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone

1-(4-pyrrolidin-2-ylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone (PubChem CID 63259244) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(4-pyrrolidin-2-ylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-pyrrolidin-2-ylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
PubChem CID63259244
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name1-(4-pyrrolidin-2-ylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C12H20N6O/c19-12(8-18-9-14-15-16-18)17-6-3-10(4-7-17)11-2-1-5-13-11/h9-11,13H,1-8H2
InChIKeyPXWGRJGOPJOQPX-UHFFFAOYSA-N
XLogP-0.34
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-(tetrazol-1-yl)ethanone
CID 102679645
1-(3-methylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone;hydrochloride
CID 119260834
1-(4-pyrrolidin-2-ylpiperidin-1-yl)pent-4-en-1-one
CID 63259498
1-(4-pyrrolidin-2-ylpiperidin-1-yl)hexan-1-one
CID 63259335
2-ethoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride
CID 119999570
1-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 70729161
1-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(tetrazol-1-yl)ethanone
CID 56878819
2-methoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride
CID 119999699
1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
CID 81458198
(3-ethyl-1-methylpyrazol-5-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 66120759
1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]pentan-1-one
CID 78875804
4,4,4-trifluoro-1-(4-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119999728

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrrolidin-2-ylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-(4-pyrrolidin-2-ylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone (CID 63259244) is 1-(4-pyrrolidin-2-ylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-pyrrolidin-2-ylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-(4-pyrrolidin-2-ylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone is O=C(Cn1cnnn1)N1CCC(C2CCCN2)CC1.
What is the InChIKey of 1-(4-pyrrolidin-2-ylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone?
The InChIKey is PXWGRJGOPJOQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c19-12(8-18-9-14-15-16-18)17-6-3-10(4-7-17)11-2-1-5-13-11/h9-11,13H,1-8H2.
What are the key properties of 1-(4-pyrrolidin-2-ylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone?
1-(4-pyrrolidin-2-ylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone has a molecular weight of 264.33 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrrolidin-2-ylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 63259244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).