(4R)-2,7-dioxo-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-diazepane-4-carboxamide

C15H20N6O3 — CID 125155070

IUPAC(4R)-2,7-dioxo-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-diazepane-4-carboxamide
SMILESO=C1CC[C@H](C(=O)NC2CCN(c3cnccn3)CC2)NC(=O)N1
InChIInChI=1S/C15H20N6O3/c22-13-2-1-11(19-15(24)20-13)14(23)18-10-3-7-21(8-4-10)12-9-16-5-6-17-12/h5-6,9-11H,1-4,7-8H2,(H,18,23)(H2,19,20,22,24)/t11-/m1/s1
InChIKeyASSZPGVCLBGOFK-LLVKDONJSA-N
MW332.36 g/mol
LogP-0.45
Rot. Bonds3

About (4R)-2,7-dioxo-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-diazepane-4-carboxamide

(4R)-2,7-dioxo-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-diazepane-4-carboxamide (PubChem CID 125155070) has the molecular formula C15H20N6O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is (4R)-2,7-dioxo-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-diazepane-4-carboxamide.

Molecular Properties

Compound Name(4R)-2,7-dioxo-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-diazepane-4-carboxamide
PubChem CID125155070
Molecular FormulaC15H20N6O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC Name(4R)-2,7-dioxo-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-diazepane-4-carboxamide
SMILESO=C1CC[C@H](C(=O)NC2CCN(c3cnccn3)CC2)NC(=O)N1
InChIInChI=1S/C15H20N6O3/c22-13-2-1-11(19-15(24)20-13)14(23)18-10-3-7-21(8-4-10)12-9-16-5-6-17-12/h5-6,9-11H,1-4,7-8H2,(H,18,23)(H2,19,20,22,24)/t11-/m1/s1
InChIKeyASSZPGVCLBGOFK-LLVKDONJSA-N
XLogP-0.45
TPSA116.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (4R)-2,7-dioxo-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-diazepane-4-carboxamide with MolForge

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Related Compounds

(3R)-6,6-dimethyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide
CID 125173162
N-[1-(4-fluorophenyl)piperidin-4-yl]-2,7-dioxo-1,3-diazepane-4-carboxamide
CID 118762258
1-pyrazin-2-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 23609685
(3R)-1-tert-butyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 97125874
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 55710621
6-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)-1H-pyrazine-3-carboxamide
CID 118792476
(7R)-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-diazepane-2,4-dione
CID 99934357
4-chloro-N-(1-pyrazin-2-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 119072365
N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-3-carboxamide
CID 133273014
N-[1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-4-yl]benzamide
CID 38795279
(2R)-2-cyclopentyl-2-phenyl-N-(1-pyrazin-2-ylpiperidin-4-yl)acetamide
CID 125164422
3-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176501776

Frequently Asked Questions

What is the IUPAC name of (4R)-2,7-dioxo-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-diazepane-4-carboxamide?
The IUPAC name of (4R)-2,7-dioxo-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-diazepane-4-carboxamide (CID 125155070) is (4R)-2,7-dioxo-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-diazepane-4-carboxamide.
What is the SMILES notation for (4R)-2,7-dioxo-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-diazepane-4-carboxamide?
The canonical SMILES for (4R)-2,7-dioxo-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-diazepane-4-carboxamide is O=C1CC[C@H](C(=O)NC2CCN(c3cnccn3)CC2)NC(=O)N1.
What is the InChIKey of (4R)-2,7-dioxo-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-diazepane-4-carboxamide?
The InChIKey is ASSZPGVCLBGOFK-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N6O3/c22-13-2-1-11(19-15(24)20-13)14(23)18-10-3-7-21(8-4-10)12-9-16-5-6-17-12/h5-6,9-11H,1-4,7-8H2,(H,18,23)(H2,19,20,22,24)/t11-/m1/s1.
What are the key properties of (4R)-2,7-dioxo-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-diazepane-4-carboxamide?
(4R)-2,7-dioxo-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-diazepane-4-carboxamide has a molecular weight of 332.36 g/mol, XLogP of -0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,7-dioxo-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-diazepane-4-carboxamide is sourced from PubChem (CID 125155070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).