(1,3-dimethylpyrazol-4-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone

C13H22N4O — CID 102801015

IUPAC(1,3-dimethylpyrazol-4-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cn(C)nc2C)CC1C
InChIInChI=1S/C13H22N4O/c1-9-7-17(6-5-12(9)14-3)13(18)11-8-16(4)15-10(11)2/h8-9,12,14H,5-7H2,1-4H3
InChIKeyIIRNZOYHSDLVJB-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.80
Rot. Bonds2

About (1,3-dimethylpyrazol-4-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone

(1,3-dimethylpyrazol-4-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone (PubChem CID 102801015) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
PubChem CID102801015
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(1,3-dimethylpyrazol-4-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cn(C)nc2C)CC1C
InChIInChI=1S/C13H22N4O/c1-9-7-17(6-5-12(9)14-3)13(18)11-8-16(4)15-10(11)2/h8-9,12,14H,5-7H2,1-4H3
InChIKeyIIRNZOYHSDLVJB-UHFFFAOYSA-N
XLogP0.80
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-3-methylpiperidin-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802438
(1,3-dimethylpyrazol-4-yl)-[3-ethyl-4-(propylamino)piperidin-1-yl]methanone
CID 102801020
(2,5-dimethylpyrazol-3-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498196
[3-(bromomethyl)pyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802318
[4-(ethylamino)-3-methylpiperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102809877
(2-hydroxy-5-methylphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498328
(2R)-1-acetyl-4-(1,3-dimethylpyrazole-4-carbonyl)-N-methylpiperazine-2-carboxamide
CID 125024551
(3S)-N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
CID 92633358
[3-methyl-4-(methylamino)piperidin-1-yl]-pyridin-4-ylmethanone
CID 114498294
1-(1,3-dimethylpyrazole-4-carbonyl)-N,N-dimethylazetidine-3-carboxamide
CID 73440376
N,3-dimethyl-4-(methylamino)piperidine-1-carboxamide
CID 114498742
[3-methyl-4-(methylamino)piperidin-1-yl]-quinolin-4-ylmethanone
CID 114498251

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone (CID 102801015) is (1,3-dimethylpyrazol-4-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone is CNC1CCN(C(=O)c2cn(C)nc2C)CC1C.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is IIRNZOYHSDLVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-7-17(6-5-12(9)14-3)13(18)11-8-16(4)15-10(11)2/h8-9,12,14H,5-7H2,1-4H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone?
(1,3-dimethylpyrazol-4-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 250.35 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 102801015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).