1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylic acid

C14H22N4O3 — CID 43441457

IUPAC1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylic acid
SMILESCc1nn(C)c(C)c1NC(=O)CN1CCC(C(=O)O)CC1
InChIInChI=1S/C14H22N4O3/c1-9-13(10(2)17(3)16-9)15-12(19)8-18-6-4-11(5-7-18)14(20)21/h11H,4-8H2,1-3H3,(H,15,19)(H,20,21)
InChIKeyGZBFCNZOTNVLAE-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.77
Rot. Bonds4

About 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylic acid

1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylic acid (PubChem CID 43441457) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylic acid
PubChem CID43441457
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylic acid
SMILESCc1nn(C)c(C)c1NC(=O)CN1CCC(C(=O)O)CC1
InChIInChI=1S/C14H22N4O3/c1-9-13(10(2)17(3)16-9)15-12(19)8-18-6-4-11(5-7-18)14(20)21/h11H,4-8H2,1-3H3,(H,15,19)(H,20,21)
InChIKeyGZBFCNZOTNVLAE-UHFFFAOYSA-N
XLogP0.77
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylic acid (CID 43441457) is 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylic acid is Cc1nn(C)c(C)c1NC(=O)CN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylic acid?
The InChIKey is GZBFCNZOTNVLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9-13(10(2)17(3)16-9)15-12(19)8-18-6-4-11(5-7-18)14(20)21/h11H,4-8H2,1-3H3,(H,15,19)(H,20,21).
What are the key properties of 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylic acid?
1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43441457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).