1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide

C18H22N4O4 — CID 26791100

IUPAC1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
SMILESO=C(N[C@H]1CCCNC1=O)c1ccccc1C(=O)N[C@@H]1CCCNC1=O
InChIInChI=1S/C18H22N4O4/c23-15(21-13-7-3-9-19-17(13)25)11-5-1-2-6-12(11)16(24)22-14-8-4-10-20-18(14)26/h1-2,5-6,13-14H,3-4,7-10H2,(H,19,25)(H,20,26)(H,21,23)(H,22,24)/t13-,14+
InChIKeyJXCVWYAIHQLSFQ-OKILXGFUSA-N
MW358.40 g/mol
LogP-0.30
Rot. Bonds4

About 1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide

1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide (PubChem CID 26791100) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
PubChem CID26791100
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
SMILESO=C(N[C@H]1CCCNC1=O)c1ccccc1C(=O)N[C@@H]1CCCNC1=O
InChIInChI=1S/C18H22N4O4/c23-15(21-13-7-3-9-19-17(13)25)11-5-1-2-6-12(11)16(24)22-14-8-4-10-20-18(14)26/h1-2,5-6,13-14H,3-4,7-10H2,(H,19,25)(H,20,26)(H,21,23)(H,22,24)/t13-,14+
InChIKeyJXCVWYAIHQLSFQ-OKILXGFUSA-N
XLogP-0.30
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 47478270
2-[[(3S)-2-oxoazepan-3-yl]carbamoyl]benzoic acid
CID 6930768
2,3-dihydroxy-N-(2-oxopiperidin-3-yl)benzamide
CID 114344266
N-(2-oxopiperidin-3-yl)-1H-indole-3-carboxamide
CID 49149499
3-amino-2-nitro-N-(2-oxopiperidin-3-yl)benzamide
CID 115548625
4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391
2-(ethylamino)-3-fluoro-N-(2-oxopiperidin-3-yl)benzamide
CID 62662588
4-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 3531239
N-[(3R)-2-oxopiperidin-3-yl]benzo[f]quinoline-5-carboxamide
CID 95272465
5-amino-2-fluoro-N-(2-oxopiperidin-3-yl)benzamide
CID 55033252
5-methyl-N-(2-oxopiperidin-3-yl)-1H-pyrazole-4-carboxamide
CID 62192755
5-amino-2-methyl-N-(2-oxopiperidin-3-yl)benzamide;hydrochloride
CID 120626685

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide?
The IUPAC name of 1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide (CID 26791100) is 1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide?
The canonical SMILES for 1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide is O=C(N[C@H]1CCCNC1=O)c1ccccc1C(=O)N[C@@H]1CCCNC1=O.
What is the InChIKey of 1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide?
The InChIKey is JXCVWYAIHQLSFQ-OKILXGFUSA-N. The full InChI is InChI=1S/C18H22N4O4/c23-15(21-13-7-3-9-19-17(13)25)11-5-1-2-6-12(11)16(24)22-14-8-4-10-20-18(14)26/h1-2,5-6,13-14H,3-4,7-10H2,(H,19,25)(H,20,26)(H,21,23)(H,22,24)/t13-,14+.
What are the key properties of 1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide?
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide has a molecular weight of 358.40 g/mol, XLogP of -0.30, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide is sourced from PubChem (CID 26791100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).