[4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyltetrazol-5-yl)methanone

C15H25N5O — CID 154770728

IUPAC[4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyltetrazol-5-yl)methanone
SMILESCn1nnc(C(=O)N2CCC(CC3CCCCC3)CC2)n1
InChIInChI=1S/C15H25N5O/c1-19-17-14(16-18-19)15(21)20-9-7-13(8-10-20)11-12-5-3-2-4-6-12/h12-13H,2-11H2,1H3
InChIKeyQXLICUZPPSIUNU-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.03
Rot. Bonds3

About [4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyltetrazol-5-yl)methanone

[4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyltetrazol-5-yl)methanone (PubChem CID 154770728) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is [4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyltetrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyltetrazol-5-yl)methanone
PubChem CID154770728
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name[4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyltetrazol-5-yl)methanone
SMILESCn1nnc(C(=O)N2CCC(CC3CCCCC3)CC2)n1
InChIInChI=1S/C15H25N5O/c1-19-17-14(16-18-19)15(21)20-9-7-13(8-10-20)11-12-5-3-2-4-6-12/h12-13H,2-11H2,1H3
InChIKeyQXLICUZPPSIUNU-UHFFFAOYSA-N
XLogP2.03
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Azaspiro[5.6]dodecan-1-yl-(2-methyltetrazol-5-yl)methanone
CID 138009047
2-[5-(2-Fluorocyclohexyl)tetrazol-2-yl]-1-piperidin-1-ylethanone
CID 24869449
N-(cyclohexylmethyl)-N-methyl-2H-tetrazole-5-carboxamide
CID 80369329
(4-propylpiperidin-1-yl)-(2H-tetrazol-5-yl)methanone
CID 80370902
3-azaspiro[5.5]undecan-3-yl(2H-tetrazol-5-yl)methanone
CID 80371001

Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyltetrazol-5-yl)methanone?
The IUPAC name of [4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyltetrazol-5-yl)methanone (CID 154770728) is [4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyltetrazol-5-yl)methanone.
What is the SMILES notation for [4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyltetrazol-5-yl)methanone?
The canonical SMILES for [4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyltetrazol-5-yl)methanone is Cn1nnc(C(=O)N2CCC(CC3CCCCC3)CC2)n1.
What is the InChIKey of [4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyltetrazol-5-yl)methanone?
The InChIKey is QXLICUZPPSIUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-19-17-14(16-18-19)15(21)20-9-7-13(8-10-20)11-12-5-3-2-4-6-12/h12-13H,2-11H2,1H3.
What are the key properties of [4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyltetrazol-5-yl)methanone?
[4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyltetrazol-5-yl)methanone has a molecular weight of 291.40 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyltetrazol-5-yl)methanone is sourced from PubChem (CID 154770728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).