5-phenyl-1-piperidin-4-yl-3H-1,4-benzodiazepin-2-one

C20H21N3O — CID 13336285

IUPAC5-phenyl-1-piperidin-4-yl-3H-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2ccccc2)c2ccccc2N1C1CCNCC1
InChIInChI=1S/C20H21N3O/c24-19-14-22-20(15-6-2-1-3-7-15)17-8-4-5-9-18(17)23(19)16-10-12-21-13-11-16/h1-9,16,21H,10-14H2
InChIKeyQIJMFWQPPHVNGE-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.62
Rot. Bonds2

About 5-phenyl-1-piperidin-4-yl-3H-1,4-benzodiazepin-2-one

5-phenyl-1-piperidin-4-yl-3H-1,4-benzodiazepin-2-one (PubChem CID 13336285) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-phenyl-1-piperidin-4-yl-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name5-phenyl-1-piperidin-4-yl-3H-1,4-benzodiazepin-2-one
PubChem CID13336285
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name5-phenyl-1-piperidin-4-yl-3H-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2ccccc2)c2ccccc2N1C1CCNCC1
InChIInChI=1S/C20H21N3O/c24-19-14-22-20(15-6-2-1-3-7-15)17-8-4-5-9-18(17)23(19)16-10-12-21-13-11-16/h1-9,16,21H,10-14H2
InChIKeyQIJMFWQPPHVNGE-UHFFFAOYSA-N
XLogP2.62
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1-piperidin-4-yl-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 5-phenyl-1-piperidin-4-yl-3H-1,4-benzodiazepin-2-one (CID 13336285) is 5-phenyl-1-piperidin-4-yl-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 5-phenyl-1-piperidin-4-yl-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 5-phenyl-1-piperidin-4-yl-3H-1,4-benzodiazepin-2-one is O=C1CN=C(c2ccccc2)c2ccccc2N1C1CCNCC1.
What is the InChIKey of 5-phenyl-1-piperidin-4-yl-3H-1,4-benzodiazepin-2-one?
The InChIKey is QIJMFWQPPHVNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c24-19-14-22-20(15-6-2-1-3-7-15)17-8-4-5-9-18(17)23(19)16-10-12-21-13-11-16/h1-9,16,21H,10-14H2.
What are the key properties of 5-phenyl-1-piperidin-4-yl-3H-1,4-benzodiazepin-2-one?
5-phenyl-1-piperidin-4-yl-3H-1,4-benzodiazepin-2-one has a molecular weight of 319.41 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-piperidin-4-yl-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 13336285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).