7-piperidin-1-ylsulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione

C14H17N3O4S — CID 20949437

IUPAC7-piperidin-1-ylsulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
SMILESO=C1CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N1
InChIInChI=1S/C14H17N3O4S/c18-13-9-14(19)16-12-8-10(4-5-11(12)15-13)22(20,21)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2,(H,15,18)(H,16,19)
InChIKeyFYFZTKCRRWIKGF-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.14
Rot. Bonds2

About 7-piperidin-1-ylsulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione

7-piperidin-1-ylsulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione (PubChem CID 20949437) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 7-piperidin-1-ylsulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione.

Molecular Properties

Compound Name7-piperidin-1-ylsulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
PubChem CID20949437
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name7-piperidin-1-ylsulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
SMILESO=C1CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N1
InChIInChI=1S/C14H17N3O4S/c18-13-9-14(19)16-12-8-10(4-5-11(12)15-13)22(20,21)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2,(H,15,18)(H,16,19)
InChIKeyFYFZTKCRRWIKGF-UHFFFAOYSA-N
XLogP1.14
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[(2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-7-yl)sulfonyl]piperidine-3-carboxylic acid
CID 28819887
7-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 20949435
6-(azepan-1-ylsulfonyl)-4H-1,4-benzoxazin-3-one
CID 22548236
7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 46341336
7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 18422443
7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 46341334
7-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 20876188
4-methyl-6-pyrrolidin-1-ylsulfonyl-1,3-dihydroquinoxalin-2-one
CID 156743603
7-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 46341329
4-methyl-6-pyrrolidin-1-ylsulfonyl-1,3-dihydroquinoxalin-2-one;molecular hydrogen
CID 163372216
2-methyl-6-piperidin-1-ylsulfonyl-4H-1,4-benzothiazin-3-one
CID 110759488
2,7-bis(azepan-1-ylsulfonyl)fluoren-9-one
CID 981056

Frequently Asked Questions

What is the IUPAC name of 7-piperidin-1-ylsulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
The IUPAC name of 7-piperidin-1-ylsulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione (CID 20949437) is 7-piperidin-1-ylsulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione.
What is the SMILES notation for 7-piperidin-1-ylsulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
The canonical SMILES for 7-piperidin-1-ylsulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione is O=C1CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N1.
What is the InChIKey of 7-piperidin-1-ylsulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
The InChIKey is FYFZTKCRRWIKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c18-13-9-14(19)16-12-8-10(4-5-11(12)15-13)22(20,21)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2,(H,15,18)(H,16,19).
What are the key properties of 7-piperidin-1-ylsulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
7-piperidin-1-ylsulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione has a molecular weight of 323.37 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-1-ylsulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione is sourced from PubChem (CID 20949437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).