1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]piperidine-2-carboxylic acid

C14H22N4O3 — CID 43441242

IUPAC1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]piperidine-2-carboxylic acid
SMILESCC(C)n1nccc1NC(=O)CN1CCCCC1C(=O)O
InChIInChI=1S/C14H22N4O3/c1-10(2)18-12(6-7-15-18)16-13(19)9-17-8-4-3-5-11(17)14(20)21/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyNUWYCEUDYKJXGW-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.34
Rot. Bonds5

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

1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]piperidine-2-carboxylic acid (PubChem CID 43441242) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]piperidine-2-carboxylic acid
PubChem CID43441242
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]piperidine-2-carboxylic acid
SMILESCC(C)n1nccc1NC(=O)CN1CCCCC1C(=O)O
InChIInChI=1S/C14H22N4O3/c1-10(2)18-12(6-7-15-18)16-13(19)9-17-8-4-3-5-11(17)14(20)21/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyNUWYCEUDYKJXGW-UHFFFAOYSA-N
XLogP1.34
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]pyrrolidine-2-carboxylate
CID 62026166
(2S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910318
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 81491148
2-piperidin-1-yl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18155912
1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid
CID 43441072
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide
CID 111461999
3-cyclopentylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 47048221
1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441331
2-(cyclopropylamino)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 60687383
1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441827
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 9205498
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 115647959

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]piperidine-2-carboxylic acid (CID 43441242) is 1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]piperidine-2-carboxylic acid is CC(C)n1nccc1NC(=O)CN1CCCCC1C(=O)O.
What is the InChIKey of 1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]piperidine-2-carboxylic acid?
The InChIKey is NUWYCEUDYKJXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10(2)18-12(6-7-15-18)16-13(19)9-17-8-4-3-5-11(17)14(20)21/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]piperidine-2-carboxylic acid?
1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]piperidine-2-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43441242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).