2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]cyclohexan-1-one

C14H23N5O — CID 107043031

IUPAC2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]cyclohexan-1-one
SMILESCn1nnc(CN2CCCCC2C2CCCCC2=O)n1
InChIInChI=1S/C14H23N5O/c1-18-16-14(15-17-18)10-19-9-5-4-7-12(19)11-6-2-3-8-13(11)20/h11-12H,2-10H2,1H3
InChIKeyVROJSSAFZILLRF-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.32
Rot. Bonds3

About 2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]cyclohexan-1-one

2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]cyclohexan-1-one (PubChem CID 107043031) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]cyclohexan-1-one
PubChem CID107043031
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]cyclohexan-1-one
SMILESCn1nnc(CN2CCCCC2C2CCCCC2=O)n1
InChIInChI=1S/C14H23N5O/c1-18-16-14(15-17-18)10-19-9-5-4-7-12(19)11-6-2-3-8-13(11)20/h11-12H,2-10H2,1H3
InChIKeyVROJSSAFZILLRF-UHFFFAOYSA-N
XLogP1.32
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methyltetrazol-5-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one
CID 158958791
1-[1-[(2-Methyltetrazol-5-yl)methyl]piperidin-3-yl]ethanone
CID 107043013
2-[1-[(2-Methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 107043027
1-[1-[(2-Methyltetrazol-5-yl)methyl]piperidin-2-yl]propan-2-one
CID 107043028
3-Ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one
CID 107043040
1-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047441
2-[1-[(2-Methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 113909182
2-[1-[(2-Methyltetrazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 113909184

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]cyclohexan-1-one (CID 107043031) is 2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]cyclohexan-1-one is Cn1nnc(CN2CCCCC2C2CCCCC2=O)n1.
What is the InChIKey of 2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]cyclohexan-1-one?
The InChIKey is VROJSSAFZILLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-18-16-14(15-17-18)10-19-9-5-4-7-12(19)11-6-2-3-8-13(11)20/h11-12H,2-10H2,1H3.
What are the key properties of 2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]cyclohexan-1-one?
2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]cyclohexan-1-one has a molecular weight of 277.37 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 107043031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).