N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]pyrazine-2-carboxamide

C21H21N5O4 — CID 108557373

IUPACN-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]pyrazine-2-carboxamide
SMILESCC(C(=O)N1CCC(NC(=O)c2cnccn2)CC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H21N5O4/c1-13(26-20(29)15-4-2-3-5-16(15)21(26)30)19(28)25-10-6-14(7-11-25)24-18(27)17-12-22-8-9-23-17/h2-5,8-9,12-14H,6-7,10-11H2,1H3,(H,24,27)
InChIKeyOGHSLZJURUGYSJ-UHFFFAOYSA-N
MW407.43 g/mol
LogP0.88
Rot. Bonds4

About N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]pyrazine-2-carboxamide

N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 108557373) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]pyrazine-2-carboxamide
PubChem CID108557373
Molecular FormulaC21H21N5O4
Molecular Weight407.43 g/mol
Exact Mass407.16
IUPAC NameN-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]pyrazine-2-carboxamide
SMILESCC(C(=O)N1CCC(NC(=O)c2cnccn2)CC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H21N5O4/c1-13(26-20(29)15-4-2-3-5-16(15)21(26)30)19(28)25-10-6-14(7-11-25)24-18(27)17-12-22-8-9-23-17/h2-5,8-9,12-14H,6-7,10-11H2,1H3,(H,24,27)
InChIKeyOGHSLZJURUGYSJ-UHFFFAOYSA-N
XLogP0.88
TPSA112.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-phenylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557355
methyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
CID 110821817
3-chloro-N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 108564507
2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
CID 23738645
2-methylpropyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
CID 108562616
benzyl N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]carbamate
CID 108564521
N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557405
N-[1-[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 55787857
2-[1-oxo-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-2-yl]isoindole-1,3-dione
CID 108533130
N-(1-quinoxalin-2-ylpiperidin-4-yl)pyrazine-2-carboxamide
CID 172903561
2-(1,3-dioxoisoindol-2-yl)-N-[1-(4-oxopentanoyl)piperidin-4-yl]propanamide
CID 108551680
2-hydroxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108551435

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]pyrazine-2-carboxamide (CID 108557373) is N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]pyrazine-2-carboxamide is CC(C(=O)N1CCC(NC(=O)c2cnccn2)CC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is OGHSLZJURUGYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4/c1-13(26-20(29)15-4-2-3-5-16(15)21(26)30)19(28)25-10-6-14(7-11-25)24-18(27)17-12-22-8-9-23-17/h2-5,8-9,12-14H,6-7,10-11H2,1H3,(H,24,27).
What are the key properties of N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]pyrazine-2-carboxamide?
N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 108557373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).