4-[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]butanoic acid

C16H24N4O4 — CID 119172685

IUPAC4-[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C1CCC(=O)N(C)C1c1cnn(C)c1
InChIInChI=1S/C16H24N4O4/c1-18(8-4-5-14(22)23)16(24)12-6-7-13(21)20(3)15(12)11-9-17-19(2)10-11/h9-10,12,15H,4-8H2,1-3H3,(H,22,23)
InChIKeySWAWCRYUWBSDFC-UHFFFAOYSA-N
MW336.39 g/mol
LogP0.65
Rot. Bonds6

About 4-[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]butanoic acid

4-[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]butanoic acid (PubChem CID 119172685) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]butanoic acid
PubChem CID119172685
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name4-[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C1CCC(=O)N(C)C1c1cnn(C)c1
InChIInChI=1S/C16H24N4O4/c1-18(8-4-5-14(22)23)16(24)12-6-7-13(21)20(3)15(12)11-9-17-19(2)10-11/h9-10,12,15H,4-8H2,1-3H3,(H,22,23)
InChIKeySWAWCRYUWBSDFC-UHFFFAOYSA-N
XLogP0.65
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[methyl-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 125134220
(2S,3S)-N,1-dimethyl-2-(1-methylpyrazol-4-yl)-6-oxo-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide
CID 95769919
2-methyl-5-[[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 119221843
3-[[2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carbonyl]-methylamino]propanoic acid
CID 119362478
(2S)-2-[[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 119237864
(5S,6R)-1-methyl-5-[(3R)-3-methylpiperazine-1-carbonyl]-6-(1-methylpyrazol-4-yl)piperidin-2-one
CID 124620457
5-(4-benzylpiperidine-1-carbonyl)-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one
CID 136526026
4-[2-[[(2S,3R)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]ethyl]benzoic acid
CID 125151949
2-methyl-3-[[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]-2-phenylpropanoic acid
CID 120701552
(5R,6R)-5-[(3R)-3-ethoxypiperidine-1-carbonyl]-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one
CID 124840117
5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one;dihydrochloride
CID 120747661
N-(1-aminohexan-2-yl)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide;dihydrochloride
CID 119668820

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]butanoic acid (CID 119172685) is 4-[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]butanoic acid is CN(CCCC(=O)O)C(=O)C1CCC(=O)N(C)C1c1cnn(C)c1.
What is the InChIKey of 4-[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]butanoic acid?
The InChIKey is SWAWCRYUWBSDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-18(8-4-5-14(22)23)16(24)12-6-7-13(21)20(3)15(12)11-9-17-19(2)10-11/h9-10,12,15H,4-8H2,1-3H3,(H,22,23).
What are the key properties of 4-[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]butanoic acid?
4-[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]butanoic acid has a molecular weight of 336.39 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 119172685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).