6-phenyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione;hydrochloride

C16H22ClN3O2 — CID 75365682

IUPAC6-phenyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione;hydrochloride
SMILESCl.O=C1CN(C2CCNCC2)C(=O)C(c2ccccc2)CN1
InChIInChI=1S/C16H21N3O2.ClH/c20-15-11-19(13-6-8-17-9-7-13)16(21)14(10-18-15)12-4-2-1-3-5-12;/h1-5,13-14,17H,6-11H2,(H,18,20);1H
InChIKeyGZGXYZWRZCZRHS-UHFFFAOYSA-N
MW323.82 g/mol
LogP0.90
Rot. Bonds2

About 6-phenyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione;hydrochloride

6-phenyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione;hydrochloride (PubChem CID 75365682) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 6-phenyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione;hydrochloride.

Molecular Properties

Compound Name6-phenyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione;hydrochloride
PubChem CID75365682
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name6-phenyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione;hydrochloride
SMILESCl.O=C1CN(C2CCNCC2)C(=O)C(c2ccccc2)CN1
InChIInChI=1S/C16H21N3O2.ClH/c20-15-11-19(13-6-8-17-9-7-13)16(21)14(10-18-15)12-4-2-1-3-5-12;/h1-5,13-14,17H,6-11H2,(H,18,20);1H
InChIKeyGZGXYZWRZCZRHS-UHFFFAOYSA-N
XLogP0.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione;hydrochloride?
The IUPAC name of 6-phenyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione;hydrochloride (CID 75365682) is 6-phenyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione;hydrochloride.
What is the SMILES notation for 6-phenyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione;hydrochloride?
The canonical SMILES for 6-phenyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione;hydrochloride is Cl.O=C1CN(C2CCNCC2)C(=O)C(c2ccccc2)CN1.
What is the InChIKey of 6-phenyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione;hydrochloride?
The InChIKey is GZGXYZWRZCZRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.ClH/c20-15-11-19(13-6-8-17-9-7-13)16(21)14(10-18-15)12-4-2-1-3-5-12;/h1-5,13-14,17H,6-11H2,(H,18,20);1H.
What are the key properties of 6-phenyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione;hydrochloride?
6-phenyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-piperidin-4-yl-1,4-diazepane-2,5-dione;hydrochloride is sourced from PubChem (CID 75365682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).