1-(4-methylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone

C10H16N4O — CID 39903775

IUPAC1-(4-methylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone
SMILESCC1CCN(C(=O)Cn2cncn2)CC1
InChIInChI=1S/C10H16N4O/c1-9-2-4-13(5-3-9)10(15)6-14-8-11-7-12-14/h7-9H,2-6H2,1H3
InChIKeyRBLCRCMBJBRNAY-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.54
Rot. Bonds2

About 1-(4-methylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone

1-(4-methylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 39903775) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID39903775
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-(4-methylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone
SMILESCC1CCN(C(=O)Cn2cncn2)CC1
InChIInChI=1S/C10H16N4O/c1-9-2-4-13(5-3-9)10(15)6-14-8-11-7-12-14/h7-9H,2-6H2,1H3
InChIKeyRBLCRCMBJBRNAY-UHFFFAOYSA-N
XLogP0.54
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-1-(piperidin-1-yl)ethanone
CID 656255
1-[(3,5-dibromo-1H-1,2,4-triazol-1-yl)acetyl]-4-methylpiperidine
CID 9420671
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 45823979
N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 45893430
1-(4-Propan-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 53500648
1-(4-Acetylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 53525550
N-(2-acetamidoethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 56802650
N-(2-acetamidoethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 72043970
N-(cyclohexylmethyl)-N-methyl-2-(tetrazol-1-yl)acetamide
CID 45819294
1-(4-Methylpiperazin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
CID 53517419
1-Pyrrolidin-1-yl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 56781102
4-(1-pyrrolidinylcarbonyl)-1-[4-(1H-1,2,4-triazol-1-yl)butanoyl]piperidine
CID 70734448

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone (CID 39903775) is 1-(4-methylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone is CC1CCN(C(=O)Cn2cncn2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is RBLCRCMBJBRNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-9-2-4-13(5-3-9)10(15)6-14-8-11-7-12-14/h7-9H,2-6H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone?
1-(4-methylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 208.26 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 39903775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).