methyl 4-[(1-acetylpiperidine-3-carbonyl)amino]-1,5-dimethylpyrazole-3-carboxylate

C15H22N4O4 — CID 110280729

IUPACmethyl 4-[(1-acetylpiperidine-3-carbonyl)amino]-1,5-dimethylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c(C)c1NC(=O)C1CCCN(C(C)=O)C1
InChIInChI=1S/C15H22N4O4/c1-9-12(13(15(22)23-4)17-18(9)3)16-14(21)11-6-5-7-19(8-11)10(2)20/h11H,5-8H2,1-4H3,(H,16,21)
InChIKeyKMDIOJCSUXEWCR-UHFFFAOYSA-N
MW322.37 g/mol
LogP0.71
Rot. Bonds3

About methyl 4-[(1-acetylpiperidine-3-carbonyl)amino]-1,5-dimethylpyrazole-3-carboxylate

methyl 4-[(1-acetylpiperidine-3-carbonyl)amino]-1,5-dimethylpyrazole-3-carboxylate (PubChem CID 110280729) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is methyl 4-[(1-acetylpiperidine-3-carbonyl)amino]-1,5-dimethylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(1-acetylpiperidine-3-carbonyl)amino]-1,5-dimethylpyrazole-3-carboxylate
PubChem CID110280729
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Namemethyl 4-[(1-acetylpiperidine-3-carbonyl)amino]-1,5-dimethylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c(C)c1NC(=O)C1CCCN(C(C)=O)C1
InChIInChI=1S/C15H22N4O4/c1-9-12(13(15(22)23-4)17-18(9)3)16-14(21)11-6-5-7-19(8-11)10(2)20/h11H,5-8H2,1-4H3,(H,16,21)
InChIKeyKMDIOJCSUXEWCR-UHFFFAOYSA-N
XLogP0.71
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(cyclopentanecarbonylamino)-1,5-dimethylpyrazole-3-carboxylate
CID 75358466
methyl 1,5-dimethyl-4-(oxolane-2-carbonylamino)pyrazole-3-carboxylate
CID 110280743
methyl 4-[[5-(cyclopropanecarbonylamino)-1-methylpyrazole-3-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748286
1-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47118869
1-acetyl-N-(2-chloro-4,6-dimethylphenyl)piperidine-3-carboxamide
CID 110686145
1-acetyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 110686168
1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide
CID 71701314
1-acetyl-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide
CID 110686171
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
methyl 3-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxypropanoate
CID 103958143
(3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 9068498
(3S)-1-acetylpiperidine-3-carboxylate
CID 7131083

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-acetylpiperidine-3-carbonyl)amino]-1,5-dimethylpyrazole-3-carboxylate?
The IUPAC name of methyl 4-[(1-acetylpiperidine-3-carbonyl)amino]-1,5-dimethylpyrazole-3-carboxylate (CID 110280729) is methyl 4-[(1-acetylpiperidine-3-carbonyl)amino]-1,5-dimethylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-[(1-acetylpiperidine-3-carbonyl)amino]-1,5-dimethylpyrazole-3-carboxylate?
The canonical SMILES for methyl 4-[(1-acetylpiperidine-3-carbonyl)amino]-1,5-dimethylpyrazole-3-carboxylate is COC(=O)c1nn(C)c(C)c1NC(=O)C1CCCN(C(C)=O)C1.
What is the InChIKey of methyl 4-[(1-acetylpiperidine-3-carbonyl)amino]-1,5-dimethylpyrazole-3-carboxylate?
The InChIKey is KMDIOJCSUXEWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-9-12(13(15(22)23-4)17-18(9)3)16-14(21)11-6-5-7-19(8-11)10(2)20/h11H,5-8H2,1-4H3,(H,16,21).
What are the key properties of methyl 4-[(1-acetylpiperidine-3-carbonyl)amino]-1,5-dimethylpyrazole-3-carboxylate?
methyl 4-[(1-acetylpiperidine-3-carbonyl)amino]-1,5-dimethylpyrazole-3-carboxylate has a molecular weight of 322.37 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-acetylpiperidine-3-carbonyl)amino]-1,5-dimethylpyrazole-3-carboxylate is sourced from PubChem (CID 110280729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).