N-(1,1-dimethylpiperidin-1-ium-3-yl)-2-(3,4-dimethylpyrazol-1-yl)acetamide

C14H25N4O+ — CID 166473847

IUPACN-(1,1-dimethylpiperidin-1-ium-3-yl)-2-(3,4-dimethylpyrazol-1-yl)acetamide
SMILESCc1cn(CC(=O)NC2CCC[N+](C)(C)C2)nc1C
InChIInChI=1S/C14H24N4O/c1-11-8-17(16-12(11)2)9-14(19)15-13-6-5-7-18(3,4)10-13/h8,13H,5-7,9-10H2,1-4H3/p+1
InChIKeyDEFQPYOFCSARKG-UHFFFAOYSA-O
MW265.38 g/mol
LogP0.85
Rot. Bonds3

About N-(1,1-dimethylpiperidin-1-ium-3-yl)-2-(3,4-dimethylpyrazol-1-yl)acetamide

N-(1,1-dimethylpiperidin-1-ium-3-yl)-2-(3,4-dimethylpyrazol-1-yl)acetamide (PubChem CID 166473847) has the molecular formula C14H25N4O+ and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(1,1-dimethylpiperidin-1-ium-3-yl)-2-(3,4-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dimethylpiperidin-1-ium-3-yl)-2-(3,4-dimethylpyrazol-1-yl)acetamide
PubChem CID166473847
Molecular FormulaC14H25N4O+
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC NameN-(1,1-dimethylpiperidin-1-ium-3-yl)-2-(3,4-dimethylpyrazol-1-yl)acetamide
SMILESCc1cn(CC(=O)NC2CCC[N+](C)(C)C2)nc1C
InChIInChI=1S/C14H24N4O/c1-11-8-17(16-12(11)2)9-14(19)15-13-6-5-7-18(3,4)10-13/h8,13H,5-7,9-10H2,1-4H3/p+1
InChIKeyDEFQPYOFCSARKG-UHFFFAOYSA-O
XLogP0.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309687
1-Cyclohexyl-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea
CID 831712
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309382
3-(1-methyl-1H-pyrazol-4-yl)piperazin-2-one
CID 62349814
2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,3-dimethylpyrazol-4-yl)acetamide
CID 46981176
2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-4-yl)acetamide
CID 46981183
N-[2-({[3-methyl-1-(2-thiomorpholin-4-ylethyl)-1H-pyrazol-4-yl]methyl}amino)ethyl]acetamide
CID 50959728
4-cyclopentyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
CID 53499020
N-(1-ethylpiperidin-4-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 53608327
N-(1-ethylpiperidin-4-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 53623783
N-(1-cyclopropylpiperidin-4-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 72141841
N-{1-[2-(cyclopropylamino)-2-oxoethyl]-4-piperidinyl}-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72881294

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethylpiperidin-1-ium-3-yl)-2-(3,4-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-(1,1-dimethylpiperidin-1-ium-3-yl)-2-(3,4-dimethylpyrazol-1-yl)acetamide (CID 166473847) is N-(1,1-dimethylpiperidin-1-ium-3-yl)-2-(3,4-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(1,1-dimethylpiperidin-1-ium-3-yl)-2-(3,4-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(1,1-dimethylpiperidin-1-ium-3-yl)-2-(3,4-dimethylpyrazol-1-yl)acetamide is Cc1cn(CC(=O)NC2CCC[N+](C)(C)C2)nc1C.
What is the InChIKey of N-(1,1-dimethylpiperidin-1-ium-3-yl)-2-(3,4-dimethylpyrazol-1-yl)acetamide?
The InChIKey is DEFQPYOFCSARKG-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H24N4O/c1-11-8-17(16-12(11)2)9-14(19)15-13-6-5-7-18(3,4)10-13/h8,13H,5-7,9-10H2,1-4H3/p+1.
What are the key properties of N-(1,1-dimethylpiperidin-1-ium-3-yl)-2-(3,4-dimethylpyrazol-1-yl)acetamide?
N-(1,1-dimethylpiperidin-1-ium-3-yl)-2-(3,4-dimethylpyrazol-1-yl)acetamide has a molecular weight of 265.38 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethylpiperidin-1-ium-3-yl)-2-(3,4-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 166473847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).