(2S)-1-acetyl-4-(pyridine-4-carbonyl)piperazine-2-carboxamide

C13H16N4O3 — CID 124948999

IUPAC(2S)-1-acetyl-4-(pyridine-4-carbonyl)piperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2ccncc2)C[C@H]1C(N)=O
InChIInChI=1S/C13H16N4O3/c1-9(18)17-7-6-16(8-11(17)12(14)19)13(20)10-2-4-15-5-3-10/h2-5,11H,6-8H2,1H3,(H2,14,19)/t11-/m0/s1
InChIKeyCQUIDTYOXWADAK-NSHDSACASA-N
MW276.30 g/mol
LogP-0.76
Rot. Bonds2

About (2S)-1-acetyl-4-(pyridine-4-carbonyl)piperazine-2-carboxamide

(2S)-1-acetyl-4-(pyridine-4-carbonyl)piperazine-2-carboxamide (PubChem CID 124948999) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is (2S)-1-acetyl-4-(pyridine-4-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-4-(pyridine-4-carbonyl)piperazine-2-carboxamide
PubChem CID124948999
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name(2S)-1-acetyl-4-(pyridine-4-carbonyl)piperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2ccncc2)C[C@H]1C(N)=O
InChIInChI=1S/C13H16N4O3/c1-9(18)17-7-6-16(8-11(17)12(14)19)13(20)10-2-4-15-5-3-10/h2-5,11H,6-8H2,1H3,(H2,14,19)/t11-/m0/s1
InChIKeyCQUIDTYOXWADAK-NSHDSACASA-N
XLogP-0.76
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-4-[3-(dimethylamino)benzoyl]piperazine-2-carboxamide
CID 127244521
methyl (2R)-2-[[(2S)-1-acetyl-4-(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]propanoate
CID 162913099
(4-iodopiperazin-1-yl)-pyridin-4-ylmethanone
CID 164591496
1-acetyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide
CID 110086044
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
(2S)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)piperazine-2-carboxamide
CID 125008346
1-acetyl-4-(4-methylbenzoyl)-1,4-diazepane-6-carboxamide
CID 110107413
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
[3-methyl-4-(methylamino)piperidin-1-yl]-pyridin-4-ylmethanone
CID 114498294
(2S)-1-acetyl-N,N-dimethyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide
CID 124967207
(2R)-4-acetyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
CID 124954921

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-4-(pyridine-4-carbonyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-4-(pyridine-4-carbonyl)piperazine-2-carboxamide (CID 124948999) is (2S)-1-acetyl-4-(pyridine-4-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-4-(pyridine-4-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-4-(pyridine-4-carbonyl)piperazine-2-carboxamide is CC(=O)N1CCN(C(=O)c2ccncc2)C[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-acetyl-4-(pyridine-4-carbonyl)piperazine-2-carboxamide?
The InChIKey is CQUIDTYOXWADAK-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N4O3/c1-9(18)17-7-6-16(8-11(17)12(14)19)13(20)10-2-4-15-5-3-10/h2-5,11H,6-8H2,1H3,(H2,14,19)/t11-/m0/s1.
What are the key properties of (2S)-1-acetyl-4-(pyridine-4-carbonyl)piperazine-2-carboxamide?
(2S)-1-acetyl-4-(pyridine-4-carbonyl)piperazine-2-carboxamide has a molecular weight of 276.30 g/mol, XLogP of -0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-4-(pyridine-4-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 124948999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).