(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid

C14H19N3O4 — CID 95017533

IUPAC(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCC[C@]1(C(=O)O)CCCN(C(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C14H19N3O4/c1-2-4-14(13(20)21)5-3-6-17(9-14)12(19)10-7-16-11(18)8-15-10/h7-8H,2-6,9H2,1H3,(H,16,18)(H,20,21)/t14-/m0/s1
InChIKeyKOLHWBXNABZCJT-AWEZNQCLSA-N
MW293.32 g/mol
LogP0.88
Rot. Bonds4

About (3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid

(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 95017533) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is (3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
PubChem CID95017533
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCC[C@]1(C(=O)O)CCCN(C(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C14H19N3O4/c1-2-4-14(13(20)21)5-3-6-17(9-14)12(19)10-7-16-11(18)8-15-10/h7-8H,2-6,9H2,1H3,(H,16,18)(H,20,21)/t14-/m0/s1
InChIKeyKOLHWBXNABZCJT-AWEZNQCLSA-N
XLogP0.88
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,5-dimethylpyrazole-4-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63134677
3-propyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 63138175
1-(5-hydroxypyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63850654
5-(3,3-diphenylpiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 72928446
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
1-(2-chlorofuran-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 106683454
(3S)-1-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 97131360
1-(furan-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63134146
1-(2,5-dimethylthiophene-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138048
1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145257
1-(2-bromobenzoyl)-3-propylpiperidine-3-carboxylic acid
CID 63134142
3-propyl-1-(2-pyrazin-2-ylacetyl)piperidine-3-carboxylic acid
CID 70710542

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid (CID 95017533) is (3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid is CCC[C@]1(C(=O)O)CCCN(C(=O)c2c[nH]c(=O)cn2)C1.
What is the InChIKey of (3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is KOLHWBXNABZCJT-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-4-14(13(20)21)5-3-6-17(9-14)12(19)10-7-16-11(18)8-15-10/h7-8H,2-6,9H2,1H3,(H,16,18)(H,20,21)/t14-/m0/s1.
What are the key properties of (3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid?
(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 95017533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).