(3,5-dimethylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone

C11H18N4O — CID 110436926

IUPAC(3,5-dimethylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cn(C)nn2)C1
InChIInChI=1S/C11H18N4O/c1-8-4-9(2)6-15(5-8)11(16)10-7-14(3)13-12-10/h7-9H,4-6H2,1-3H3
InChIKeyCMQQRBIVIZQVSI-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.93
Rot. Bonds1

About (3,5-dimethylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone

(3,5-dimethylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone (PubChem CID 110436926) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
PubChem CID110436926
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(3,5-dimethylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cn(C)nn2)C1
InChIInChI=1S/C11H18N4O/c1-8-4-9(2)6-15(5-8)11(16)10-7-14(3)13-12-10/h7-9H,4-6H2,1-3H3
InChIKeyCMQQRBIVIZQVSI-UHFFFAOYSA-N
XLogP0.93
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloropyrrolidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 130521214
(3-bromo-4-methylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 164663138
1-(1-methyltriazole-4-carbonyl)piperidine-4-carboxylic acid
CID 110461894
[4-(dimethylamino)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 110471518
[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 129270615
(3-aminopiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 121200479
[4-(chloromethyl)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 164663089
[3-(bromomethyl)pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 130521226
(1-methyltriazol-4-yl)-(3-phenylazepan-1-yl)methanone
CID 90608567
(1-methyltriazol-4-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 110471567
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyltriazol-4-yl)methanone
CID 110691585
1-[(2S)-2-methyl-4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]pentan-1-one
CID 175951550

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone (CID 110436926) is (3,5-dimethylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone is CC1CC(C)CN(C(=O)c2cn(C)nn2)C1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone?
The InChIKey is CMQQRBIVIZQVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-4-9(2)6-15(5-8)11(16)10-7-14(3)13-12-10/h7-9H,4-6H2,1-3H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone?
(3,5-dimethylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone is sourced from PubChem (CID 110436926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).