1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone

C10H18N6O — CID 81458198

IUPAC1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
SMILESCCC1CN(C(=O)Cn2cnnn2)CCC1N
InChIInChI=1S/C10H18N6O/c1-2-8-5-15(4-3-9(8)11)10(17)6-16-7-12-13-14-16/h7-9H,2-6,11H2,1H3
InChIKeyIODLZDCHNFMLKH-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.74
Rot. Bonds3

About 1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone

1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone (PubChem CID 81458198) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
PubChem CID81458198
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
SMILESCCC1CN(C(=O)Cn2cnnn2)CCC1N
InChIInChI=1S/C10H18N6O/c1-2-8-5-15(4-3-9(8)11)10(17)6-16-7-12-13-14-16/h7-9H,2-6,11H2,1H3
InChIKeyIODLZDCHNFMLKH-UHFFFAOYSA-N
XLogP-0.74
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]propan-1-one
CID 96581961
ethyl 1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylate
CID 43406985
1-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 97026542
1-(3-methylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone;hydrochloride
CID 119260834
1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 133118804
1-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-(tetrazol-1-yl)ethanone
CID 43596168
1-[4-[2-(2-ethylcyclohexyl)oxyacetyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 127888364
2-[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]acetic acid
CID 55105139
ethyl N-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]carbamate
CID 94187844
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
ethyl 4-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate
CID 31005006

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone (CID 81458198) is 1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone is CCC1CN(C(=O)Cn2cnnn2)CCC1N.
What is the InChIKey of 1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone?
The InChIKey is IODLZDCHNFMLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c1-2-8-5-15(4-3-9(8)11)10(17)6-16-7-12-13-14-16/h7-9H,2-6,11H2,1H3.
What are the key properties of 1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone?
1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone has a molecular weight of 238.29 g/mol, XLogP of -0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 81458198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).