(4-methylpiperidin-4-yl)-(3-propyltriazol-4-yl)methanone

C12H20N4O — CID 114691980

IUPAC(4-methylpiperidin-4-yl)-(3-propyltriazol-4-yl)methanone
SMILESCCCn1nncc1C(=O)C1(C)CCNCC1
InChIInChI=1S/C12H20N4O/c1-3-8-16-10(9-14-15-16)11(17)12(2)4-6-13-7-5-12/h9,13H,3-8H2,1-2H3
InChIKeySWQLYOHQKKGBLV-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.26
Rot. Bonds4

About (4-methylpiperidin-4-yl)-(3-propyltriazol-4-yl)methanone

(4-methylpiperidin-4-yl)-(3-propyltriazol-4-yl)methanone (PubChem CID 114691980) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (4-methylpiperidin-4-yl)-(3-propyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-4-yl)-(3-propyltriazol-4-yl)methanone
PubChem CID114691980
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(4-methylpiperidin-4-yl)-(3-propyltriazol-4-yl)methanone
SMILESCCCn1nncc1C(=O)C1(C)CCNCC1
InChIInChI=1S/C12H20N4O/c1-3-8-16-10(9-14-15-16)11(17)12(2)4-6-13-7-5-12/h9,13H,3-8H2,1-2H3
InChIKeySWQLYOHQKKGBLV-UHFFFAOYSA-N
XLogP1.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(dimethylamino)cyclohexyl]-(3-propyltriazol-4-yl)methanone
CID 114685998
(3-propyltriazol-4-yl)-pyrrolidin-3-ylmethanone
CID 114691988
(4-aminooxan-4-yl)-(3-propyltriazol-4-yl)methanone
CID 114692305
(1-ethoxycyclohexyl)-(3-propyltriazol-4-yl)methanone
CID 114686277
(2-ethylpyrazol-3-yl)-(4-methylpiperidin-4-yl)methanone
CID 116567524
cyclopenten-1-yl-(3-propyltriazol-4-yl)methanone
CID 103448123
(4-amino-3-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanone
CID 114691937
(4-bromo-1-propylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 114669204
2-ethyl-1-(3-propyltriazol-4-yl)butan-1-one
CID 115802313
(3-methyltriazol-4-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 114692008
(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methanone
CID 114685710
3-amino-3-methyl-1-(3-propyltriazol-4-yl)butan-1-one
CID 114692097

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-4-yl)-(3-propyltriazol-4-yl)methanone?
The IUPAC name of (4-methylpiperidin-4-yl)-(3-propyltriazol-4-yl)methanone (CID 114691980) is (4-methylpiperidin-4-yl)-(3-propyltriazol-4-yl)methanone.
What is the SMILES notation for (4-methylpiperidin-4-yl)-(3-propyltriazol-4-yl)methanone?
The canonical SMILES for (4-methylpiperidin-4-yl)-(3-propyltriazol-4-yl)methanone is CCCn1nncc1C(=O)C1(C)CCNCC1.
What is the InChIKey of (4-methylpiperidin-4-yl)-(3-propyltriazol-4-yl)methanone?
The InChIKey is SWQLYOHQKKGBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-8-16-10(9-14-15-16)11(17)12(2)4-6-13-7-5-12/h9,13H,3-8H2,1-2H3.
What are the key properties of (4-methylpiperidin-4-yl)-(3-propyltriazol-4-yl)methanone?
(4-methylpiperidin-4-yl)-(3-propyltriazol-4-yl)methanone has a molecular weight of 236.32 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-4-yl)-(3-propyltriazol-4-yl)methanone is sourced from PubChem (CID 114691980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).