methyl 2-(oxan-4-yl)-3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]propanoate

C18H28N4O4 — CID 120931889

IUPACmethyl 2-(oxan-4-yl)-3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(CNC(=O)C1(n2cccn2)CCNCC1)C1CCOCC1
InChIInChI=1S/C18H28N4O4/c1-25-16(23)15(14-3-11-26-12-4-14)13-20-17(24)18(5-8-19-9-6-18)22-10-2-7-21-22/h2,7,10,14-15,19H,3-6,8-9,11-13H2,1H3,(H,20,24)
InChIKeyKQMXNQTZSQZPMO-UHFFFAOYSA-N
MW364.45 g/mol
LogP0.29
Rot. Bonds6

About methyl 2-(oxan-4-yl)-3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]propanoate

methyl 2-(oxan-4-yl)-3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]propanoate (PubChem CID 120931889) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is methyl 2-(oxan-4-yl)-3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-(oxan-4-yl)-3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]propanoate
PubChem CID120931889
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Namemethyl 2-(oxan-4-yl)-3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(CNC(=O)C1(n2cccn2)CCNCC1)C1CCOCC1
InChIInChI=1S/C18H28N4O4/c1-25-16(23)15(14-3-11-26-12-4-14)13-20-17(24)18(5-8-19-9-6-18)22-10-2-7-21-22/h2,7,10,14-15,19H,3-6,8-9,11-13H2,1H3,(H,20,24)
InChIKeyKQMXNQTZSQZPMO-UHFFFAOYSA-N
XLogP0.29
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-(oxan-4-yl)-3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]propanoate with MolForge

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Related Compounds

N-[2-(dimethylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939947
methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride
CID 120924676
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919192
N-(2-morpholin-4-ylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120937758
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919191
N-(2-methoxy-2-methylpropyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120933453
N-(1-cyclopropylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919574
N-[(2,2-dimethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120932686
N-[2-(2,6-dichlorophenyl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930429
N-(2,2-dimethylpropyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922205
N-[(2-methylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924383
N-(3-morpholin-4-ylbutan-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120941182

Frequently Asked Questions

What is the IUPAC name of methyl 2-(oxan-4-yl)-3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-(oxan-4-yl)-3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]propanoate (CID 120931889) is methyl 2-(oxan-4-yl)-3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-(oxan-4-yl)-3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-(oxan-4-yl)-3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]propanoate is COC(=O)C(CNC(=O)C1(n2cccn2)CCNCC1)C1CCOCC1.
What is the InChIKey of methyl 2-(oxan-4-yl)-3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]propanoate?
The InChIKey is KQMXNQTZSQZPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-25-16(23)15(14-3-11-26-12-4-14)13-20-17(24)18(5-8-19-9-6-18)22-10-2-7-21-22/h2,7,10,14-15,19H,3-6,8-9,11-13H2,1H3,(H,20,24).
What are the key properties of methyl 2-(oxan-4-yl)-3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]propanoate?
methyl 2-(oxan-4-yl)-3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]propanoate has a molecular weight of 364.45 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(oxan-4-yl)-3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]propanoate is sourced from PubChem (CID 120931889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).