4-methyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)piperazine-1-carboxamide

C21H23N5O2 — CID 10362234

IUPAC4-methyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NC2N=C(c3ccccc3)c3ccccc3NC2=O)CC1
InChIInChI=1S/C21H23N5O2/c1-25-11-13-26(14-12-25)21(28)24-19-20(27)22-17-10-6-5-9-16(17)18(23-19)15-7-3-2-4-8-15/h2-10,19H,11-14H2,1H3,(H,22,27)(H,24,28)
InChIKeyKJXJJTPYTJBZEL-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.76
Rot. Bonds2

About 4-methyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)piperazine-1-carboxamide

4-methyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)piperazine-1-carboxamide (PubChem CID 10362234) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-methyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)piperazine-1-carboxamide
PubChem CID10362234
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name4-methyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NC2N=C(c3ccccc3)c3ccccc3NC2=O)CC1
InChIInChI=1S/C21H23N5O2/c1-25-11-13-26(14-12-25)21(28)24-19-20(27)22-17-10-6-5-9-16(17)18(23-19)15-7-3-2-4-8-15/h2-10,19H,11-14H2,1H3,(H,22,27)(H,24,28)
InChIKeyKJXJJTPYTJBZEL-UHFFFAOYSA-N
XLogP1.76
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)piperazine-1-carboxamide (CID 10362234) is 4-methyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)piperazine-1-carboxamide is CN1CCN(C(=O)NC2N=C(c3ccccc3)c3ccccc3NC2=O)CC1.
What is the InChIKey of 4-methyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)piperazine-1-carboxamide?
The InChIKey is KJXJJTPYTJBZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-25-11-13-26(14-12-25)21(28)24-19-20(27)22-17-10-6-5-9-16(17)18(23-19)15-7-3-2-4-8-15/h2-10,19H,11-14H2,1H3,(H,22,27)(H,24,28).
What are the key properties of 4-methyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)piperazine-1-carboxamide?
4-methyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)piperazine-1-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 10362234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).