N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-4-(2-methylpropyl)piperidine-1-carboxamide

C18H32N4O — CID 126806352

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-4-(2-methylpropyl)piperidine-1-carboxamide
SMILESCCc1nn(C)cc1CNC(=O)N1CCC(C)(CC(C)C)CC1
InChIInChI=1S/C18H32N4O/c1-6-16-15(13-21(5)20-16)12-19-17(23)22-9-7-18(4,8-10-22)11-14(2)3/h13-14H,6-12H2,1-5H3,(H,19,23)
InChIKeyZUJMBJGZUSVHBS-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.34
Rot. Bonds5

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-4-(2-methylpropyl)piperidine-1-carboxamide

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-4-(2-methylpropyl)piperidine-1-carboxamide (PubChem CID 126806352) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-4-(2-methylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-4-(2-methylpropyl)piperidine-1-carboxamide
PubChem CID126806352
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-4-(2-methylpropyl)piperidine-1-carboxamide
SMILESCCc1nn(C)cc1CNC(=O)N1CCC(C)(CC(C)C)CC1
InChIInChI=1S/C18H32N4O/c1-6-16-15(13-21(5)20-16)12-19-17(23)22-9-7-18(4,8-10-22)11-14(2)3/h13-14H,6-12H2,1-5H3,(H,19,23)
InChIKeyZUJMBJGZUSVHBS-UHFFFAOYSA-N
XLogP3.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-4-(2-methylpropyl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,4-dimethyl-1H-pyrazol-5-yl)piperidine
CID 82600316
4-cyclopentyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
CID 53499020
1-Cyclohexyl-3-((4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methyl)urea
CID 91629697
N-[2-(1,5-Dimethylpyrazol-4-YL)ethyl]-3,5-dimethylazepane-1-carboxamide
CID 71910881
1-[(3-Ethyl-1-methylpyrazol-4-yl)methyl]-3-(2-methylprop-2-enyl)urea
CID 91661490
1-(cyclobutylmethyl)-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-propan-2-ylurea
CID 99838721
N-[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-4-propyl-1,4-diazepane-1-carboxamide
CID 129560946
1-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide
CID 136568132
N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-4-[(2-oxoimidazolidin-1-yl)methyl]piperidine-1-carboxamide
CID 138025197
(3S)-N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-3-ethylpyrrolidine-1-carboxamide
CID 164625657
4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidine-1-carboxamide
CID 169868600
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 72023449

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-4-(2-methylpropyl)piperidine-1-carboxamide?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-4-(2-methylpropyl)piperidine-1-carboxamide (CID 126806352) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-4-(2-methylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-4-(2-methylpropyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-4-(2-methylpropyl)piperidine-1-carboxamide is CCc1nn(C)cc1CNC(=O)N1CCC(C)(CC(C)C)CC1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-4-(2-methylpropyl)piperidine-1-carboxamide?
The InChIKey is ZUJMBJGZUSVHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-6-16-15(13-21(5)20-16)12-19-17(23)22-9-7-18(4,8-10-22)11-14(2)3/h13-14H,6-12H2,1-5H3,(H,19,23).
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-4-(2-methylpropyl)piperidine-1-carboxamide?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-4-(2-methylpropyl)piperidine-1-carboxamide has a molecular weight of 320.48 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-4-(2-methylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 126806352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).