3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one

C10H17N5O — CID 107043040

IUPAC3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one
SMILESCCC1CN(Cc2nnn(C)n2)CCC1=O
InChIInChI=1S/C10H17N5O/c1-3-8-6-15(5-4-9(8)16)7-10-11-13-14(2)12-10/h8H,3-7H2,1-2H3
InChIKeyZEGDMGINJAVBEO-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.01
Rot. Bonds3

About 3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one

3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one (PubChem CID 107043040) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one.

Molecular Properties

Compound Name3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one
PubChem CID107043040
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one
SMILESCCC1CN(Cc2nnn(C)n2)CCC1=O
InChIInChI=1S/C10H17N5O/c1-3-8-6-15(5-4-9(8)16)7-10-11-13-14(2)12-10/h8H,3-7H2,1-2H3
InChIKeyZEGDMGINJAVBEO-UHFFFAOYSA-N
XLogP0.01
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one
CID 107043012
N-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-ylidene]hydroxylamine
CID 107043401
3-ethyl-1-(2-hydroxyethyl)piperidin-4-one
CID 114508617
4-ethyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one
CID 107044525
N-ethyl-2-(3-ethyl-4-oxopiperidin-1-yl)-N-methylacetamide
CID 114508729
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-2-methyltetrazole
CID 107054129
1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 107045335
(3R)-3-ethyl-1-(2-methoxyethyl)piperidin-4-one
CID 129380797
3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane
CID 107056207
3-ethyl-1-(2-pyridin-4-ylethyl)piperidin-4-one
CID 114508732
3-(3-ethyl-4-oxopiperidin-1-yl)propanoic acid
CID 114509620
2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]acetic acid
CID 107044977

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one?
The IUPAC name of 3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one (CID 107043040) is 3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one.
What is the SMILES notation for 3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one?
The canonical SMILES for 3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one is CCC1CN(Cc2nnn(C)n2)CCC1=O.
What is the InChIKey of 3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one?
The InChIKey is ZEGDMGINJAVBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-3-8-6-15(5-4-9(8)16)7-10-11-13-14(2)12-10/h8H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one?
3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one has a molecular weight of 223.28 g/mol, XLogP of 0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one is sourced from PubChem (CID 107043040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).