methyl 4-[4-[5-(2,2-dimethylpropanoylamino)pyrazol-1-yl]piperidin-1-yl]pentanoate

C19H32N4O3 — CID 45186291

IUPACmethyl 4-[4-[5-(2,2-dimethylpropanoylamino)pyrazol-1-yl]piperidin-1-yl]pentanoate
SMILESCOC(=O)CCC(C)N1CCC(n2nccc2NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C19H32N4O3/c1-14(6-7-17(24)26-5)22-12-9-15(10-13-22)23-16(8-11-20-23)21-18(25)19(2,3)4/h8,11,14-15H,6-7,9-10,12-13H2,1-5H3,(H,21,25)
InChIKeySVSNLJMVXHJAAD-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.85
Rot. Bonds6

About methyl 4-[4-[5-(2,2-dimethylpropanoylamino)pyrazol-1-yl]piperidin-1-yl]pentanoate

methyl 4-[4-[5-(2,2-dimethylpropanoylamino)pyrazol-1-yl]piperidin-1-yl]pentanoate (PubChem CID 45186291) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is methyl 4-[4-[5-(2,2-dimethylpropanoylamino)pyrazol-1-yl]piperidin-1-yl]pentanoate.

Molecular Properties

Compound Namemethyl 4-[4-[5-(2,2-dimethylpropanoylamino)pyrazol-1-yl]piperidin-1-yl]pentanoate
PubChem CID45186291
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Namemethyl 4-[4-[5-(2,2-dimethylpropanoylamino)pyrazol-1-yl]piperidin-1-yl]pentanoate
SMILESCOC(=O)CCC(C)N1CCC(n2nccc2NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C19H32N4O3/c1-14(6-7-17(24)26-5)22-12-9-15(10-13-22)23-16(8-11-20-23)21-18(25)19(2,3)4/h8,11,14-15H,6-7,9-10,12-13H2,1-5H3,(H,21,25)
InChIKeySVSNLJMVXHJAAD-UHFFFAOYSA-N
XLogP2.85
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[4-[5-(2,2-dimethylpropanoylamino)pyrazol-1-yl]piperidin-1-yl]pentanoate with MolForge

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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
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
2,2-dimethyl-N-{1-[1-(4,4,4-trifluorobutanoyl)-4-piperidinyl]-1H-pyrazol-5-yl}propanamide
CID 26395668
3-methyl-N-{1-[1-(3,3,3-trifluoropropanoyl)-4-piperidinyl]-1H-pyrazol-5-yl}butanamide
CID 42378652
N-{1-[1-(2-butynoyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2,2-dimethylpropanamide
CID 25447141
3-methyl-N-(1-{1-[(2E)-2-methyl-2-buten-1-yl]-4-piperidinyl}-1H-pyrazol-5-yl)butanamide
CID 25454434
2,2-dimethyl-N-[1-(1'-propyl-1,4'-bipiperidin-4-yl)-1H-pyrazol-5-yl]propanamide
CID 26316039
1-(2,2-dimethylpropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide
CID 30186298
N-{1-[1-(2-butynoyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-methylbutanamide
CID 42193324

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[5-(2,2-dimethylpropanoylamino)pyrazol-1-yl]piperidin-1-yl]pentanoate?
The IUPAC name of methyl 4-[4-[5-(2,2-dimethylpropanoylamino)pyrazol-1-yl]piperidin-1-yl]pentanoate (CID 45186291) is methyl 4-[4-[5-(2,2-dimethylpropanoylamino)pyrazol-1-yl]piperidin-1-yl]pentanoate.
What is the SMILES notation for methyl 4-[4-[5-(2,2-dimethylpropanoylamino)pyrazol-1-yl]piperidin-1-yl]pentanoate?
The canonical SMILES for methyl 4-[4-[5-(2,2-dimethylpropanoylamino)pyrazol-1-yl]piperidin-1-yl]pentanoate is COC(=O)CCC(C)N1CCC(n2nccc2NC(=O)C(C)(C)C)CC1.
What is the InChIKey of methyl 4-[4-[5-(2,2-dimethylpropanoylamino)pyrazol-1-yl]piperidin-1-yl]pentanoate?
The InChIKey is SVSNLJMVXHJAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-14(6-7-17(24)26-5)22-12-9-15(10-13-22)23-16(8-11-20-23)21-18(25)19(2,3)4/h8,11,14-15H,6-7,9-10,12-13H2,1-5H3,(H,21,25).
What are the key properties of methyl 4-[4-[5-(2,2-dimethylpropanoylamino)pyrazol-1-yl]piperidin-1-yl]pentanoate?
methyl 4-[4-[5-(2,2-dimethylpropanoylamino)pyrazol-1-yl]piperidin-1-yl]pentanoate has a molecular weight of 364.49 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[5-(2,2-dimethylpropanoylamino)pyrazol-1-yl]piperidin-1-yl]pentanoate is sourced from PubChem (CID 45186291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).