(7S)-7-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione

C13H17N5O4 — CID 126430247

IUPAC(7S)-7-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione
SMILESO=C1CC[C@@H](C(=O)N2CCC(c3ncon3)CC2)NC(=O)N1
InChIInChI=1S/C13H17N5O4/c19-10-2-1-9(15-13(21)16-10)12(20)18-5-3-8(4-6-18)11-14-7-22-17-11/h7-9H,1-6H2,(H2,15,16,19,21)/t9-/m0/s1
InChIKeyGDWBMMLSNJXWTC-VIFPVBQESA-N
MW307.31 g/mol
LogP-0.24
Rot. Bonds2

About (7S)-7-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione

(7S)-7-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione (PubChem CID 126430247) has the molecular formula C13H17N5O4 and a molecular weight of 307.31 g/mol. Its IUPAC name is (7S)-7-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione.

Molecular Properties

Compound Name(7S)-7-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione
PubChem CID126430247
Molecular FormulaC13H17N5O4
Molecular Weight307.31 g/mol
Exact Mass307.13
IUPAC Name(7S)-7-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione
SMILESO=C1CC[C@@H](C(=O)N2CCC(c3ncon3)CC2)NC(=O)N1
InChIInChI=1S/C13H17N5O4/c19-10-2-1-9(15-13(21)16-10)12(20)18-5-3-8(4-6-18)11-14-7-22-17-11/h7-9H,1-6H2,(H2,15,16,19,21)/t9-/m0/s1
InChIKeyGDWBMMLSNJXWTC-VIFPVBQESA-N
XLogP-0.24
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (7S)-7-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione with MolForge

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Related Compounds

1,3-dioxolan-2-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 166301319
(7S)-7-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione
CID 125173787
(7R)-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-diazepane-2,4-dione
CID 99934357
5-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 118779827
[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methanone
CID 97279754
[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methanone
CID 97279755
3-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 118767734
1-[4-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 124760800
6-(piperazine-1-carbonyl)-1,3-diazinane-2,4-dione
CID 74313460
(1-methylindol-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118777346
5,5-dimethyl-3-[2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidine-2,4-dione
CID 72848064
[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(9R)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-9-yl]methanone
CID 126448107

Frequently Asked Questions

What is the IUPAC name of (7S)-7-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione?
The IUPAC name of (7S)-7-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione (CID 126430247) is (7S)-7-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione.
What is the SMILES notation for (7S)-7-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione?
The canonical SMILES for (7S)-7-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione is O=C1CC[C@@H](C(=O)N2CCC(c3ncon3)CC2)NC(=O)N1.
What is the InChIKey of (7S)-7-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione?
The InChIKey is GDWBMMLSNJXWTC-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17N5O4/c19-10-2-1-9(15-13(21)16-10)12(20)18-5-3-8(4-6-18)11-14-7-22-17-11/h7-9H,1-6H2,(H2,15,16,19,21)/t9-/m0/s1.
What are the key properties of (7S)-7-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione?
(7S)-7-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione has a molecular weight of 307.31 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione is sourced from PubChem (CID 126430247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).