ethyl 1-[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]piperidine-4-carboxylate

C17H28N4O3 — CID 46800822

IUPACethyl 1-[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(C)C(=O)Nc2ccnn2C(C)C)CC1
InChIInChI=1S/C17H28N4O3/c1-5-24-17(23)14-7-10-20(11-8-14)13(4)16(22)19-15-6-9-18-21(15)12(2)3/h6,9,12-14H,5,7-8,10-11H2,1-4H3,(H,19,22)
InChIKeyXHWKCMBBJXROPX-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.07
Rot. Bonds6

About ethyl 1-[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]piperidine-4-carboxylate

ethyl 1-[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]piperidine-4-carboxylate (PubChem CID 46800822) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is ethyl 1-[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]piperidine-4-carboxylate
PubChem CID46800822
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Nameethyl 1-[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(C)C(=O)Nc2ccnn2C(C)C)CC1
InChIInChI=1S/C17H28N4O3/c1-5-24-17(23)14-7-10-20(11-8-14)13(4)16(22)19-15-6-9-18-21(15)12(2)3/h6,9,12-14H,5,7-8,10-11H2,1-4H3,(H,19,22)
InChIKeyXHWKCMBBJXROPX-UHFFFAOYSA-N
XLogP2.07
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]piperidine-4-carboxylate 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

N-{1-[1-(3-methylbutyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 24790483
2-(4-Ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(1-methyl-1H-pyrazol-5-yl)acetamide
CID 53244911
N-{1-[1-(3-hydroxy-2,2-dimethylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 45240879
2-[4-(2-methoxyethyl)piperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 53532059
2-[4-(2-ethoxyethyl)piperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 53590617
tert-butyl N-[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-N-methylcarbamate
CID 56783438
2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 16294137
ethyl 4-{5-[(cyclopentylcarbonyl)amino]-1H-pyrazol-1-yl}-1,4'-bipiperidine-1'-carboxylate
CID 42213840
3-methyl-N-{1-[1-(3,3,3-trifluoro-1-methylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}butanamide
CID 45930241
2-[3-[(4-Methyloxan-4-yl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 86790184
2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]acetamide
CID 164639032
3-methyl-N-{1-[1-(3,3,3-trifluoropropanoyl)-4-piperidinyl]-1H-pyrazol-5-yl}butanamide
CID 42378652

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]piperidine-4-carboxylate (CID 46800822) is ethyl 1-[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(C)C(=O)Nc2ccnn2C(C)C)CC1.
What is the InChIKey of ethyl 1-[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]piperidine-4-carboxylate?
The InChIKey is XHWKCMBBJXROPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-5-24-17(23)14-7-10-20(11-8-14)13(4)16(22)19-15-6-9-18-21(15)12(2)3/h6,9,12-14H,5,7-8,10-11H2,1-4H3,(H,19,22).
What are the key properties of ethyl 1-[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]piperidine-4-carboxylate?
ethyl 1-[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]piperidine-4-carboxylate has a molecular weight of 336.44 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 46800822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).