[4-methyl-4-(methylamino)piperidin-1-yl]-(2H-triazol-4-yl)methanone

C10H17N5O — CID 115304598

IUPAC[4-methyl-4-(methylamino)piperidin-1-yl]-(2H-triazol-4-yl)methanone
SMILESCNC1(C)CCN(C(=O)c2cn[nH]n2)CC1
InChIInChI=1S/C10H17N5O/c1-10(11-2)3-5-15(6-4-10)9(16)8-7-12-14-13-8/h7,11H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyFXPBLIGPTDEHQA-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.02
Rot. Bonds2

About [4-methyl-4-(methylamino)piperidin-1-yl]-(2H-triazol-4-yl)methanone

[4-methyl-4-(methylamino)piperidin-1-yl]-(2H-triazol-4-yl)methanone (PubChem CID 115304598) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is [4-methyl-4-(methylamino)piperidin-1-yl]-(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name[4-methyl-4-(methylamino)piperidin-1-yl]-(2H-triazol-4-yl)methanone
PubChem CID115304598
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name[4-methyl-4-(methylamino)piperidin-1-yl]-(2H-triazol-4-yl)methanone
SMILESCNC1(C)CCN(C(=O)c2cn[nH]n2)CC1
InChIInChI=1S/C10H17N5O/c1-10(11-2)3-5-15(6-4-10)9(16)8-7-12-14-13-8/h7,11H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyFXPBLIGPTDEHQA-UHFFFAOYSA-N
XLogP0.02
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4,4-dimethylazepan-1-yl)-(2H-triazol-4-yl)methanone
CID 79005614
azocan-1-yl(2H-triazol-4-yl)methanone
CID 47335062
[3-(bromomethyl)-3-methylpyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 131031529
[4-methyl-4-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 115304614
(4-methyl-1,4-diazepan-1-yl)-(2H-triazol-4-yl)methanone
CID 112732680
(4-bromopiperidin-1-yl)-(2H-triazol-4-yl)methanone
CID 80662677
[4-(2-hydroxyethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 110475446
1,4-thiazepan-4-yl(2H-triazol-4-yl)methanone
CID 78968241
N-ethyl-1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
CID 112733334
1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
CID 110475443
[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 56890894
(3-ethyl-1-methylpyrazol-4-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 102811050

Frequently Asked Questions

What is the IUPAC name of [4-methyl-4-(methylamino)piperidin-1-yl]-(2H-triazol-4-yl)methanone?
The IUPAC name of [4-methyl-4-(methylamino)piperidin-1-yl]-(2H-triazol-4-yl)methanone (CID 115304598) is [4-methyl-4-(methylamino)piperidin-1-yl]-(2H-triazol-4-yl)methanone.
What is the SMILES notation for [4-methyl-4-(methylamino)piperidin-1-yl]-(2H-triazol-4-yl)methanone?
The canonical SMILES for [4-methyl-4-(methylamino)piperidin-1-yl]-(2H-triazol-4-yl)methanone is CNC1(C)CCN(C(=O)c2cn[nH]n2)CC1.
What is the InChIKey of [4-methyl-4-(methylamino)piperidin-1-yl]-(2H-triazol-4-yl)methanone?
The InChIKey is FXPBLIGPTDEHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-10(11-2)3-5-15(6-4-10)9(16)8-7-12-14-13-8/h7,11H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of [4-methyl-4-(methylamino)piperidin-1-yl]-(2H-triazol-4-yl)methanone?
[4-methyl-4-(methylamino)piperidin-1-yl]-(2H-triazol-4-yl)methanone has a molecular weight of 223.28 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-4-(methylamino)piperidin-1-yl]-(2H-triazol-4-yl)methanone is sourced from PubChem (CID 115304598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).