N'-methyl-4-(2-oxopiperidin-1-yl)-N'-phenylbenzohydrazide

C19H21N3O2 — CID 18121150

IUPACN'-methyl-4-(2-oxopiperidin-1-yl)-N'-phenylbenzohydrazide
SMILESCN(NC(=O)c1ccc(N2CCCCC2=O)cc1)c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-21(16-7-3-2-4-8-16)20-19(24)15-10-12-17(13-11-15)22-14-6-5-9-18(22)23/h2-4,7-8,10-13H,5-6,9,14H2,1H3,(H,20,24)
InChIKeyXXBKNRJVNPWGLL-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.98
Rot. Bonds4

About N'-methyl-4-(2-oxopiperidin-1-yl)-N'-phenylbenzohydrazide

N'-methyl-4-(2-oxopiperidin-1-yl)-N'-phenylbenzohydrazide (PubChem CID 18121150) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N'-methyl-4-(2-oxopiperidin-1-yl)-N'-phenylbenzohydrazide.

Molecular Properties

Compound NameN'-methyl-4-(2-oxopiperidin-1-yl)-N'-phenylbenzohydrazide
PubChem CID18121150
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN'-methyl-4-(2-oxopiperidin-1-yl)-N'-phenylbenzohydrazide
SMILESCN(NC(=O)c1ccc(N2CCCCC2=O)cc1)c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-21(16-7-3-2-4-8-16)20-19(24)15-10-12-17(13-11-15)22-14-6-5-9-18(22)23/h2-4,7-8,10-13H,5-6,9,14H2,1H3,(H,20,24)
InChIKeyXXBKNRJVNPWGLL-UHFFFAOYSA-N
XLogP2.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylamino)-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide
CID 35768592
N-methoxy-4-(2-oxopiperidin-1-yl)benzamide
CID 51279408
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
N-[2-(dimethylamino)-2-phenylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 4881454
N-methyl-N-naphthalen-2-yl-4-(2-oxopiperidin-1-yl)benzamide
CID 55429642
N,N-dimethyl-3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
CID 51339093
N-cyclopropyl-4-(2-oxopiperidin-1-yl)benzamide
CID 18105948
N-benzhydryl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 2555391
N-(4-acetylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 9242933
N-(2-methylpropyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18106043
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
2-fluoro-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide
CID 31794745

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-(2-oxopiperidin-1-yl)-N'-phenylbenzohydrazide?
The IUPAC name of N'-methyl-4-(2-oxopiperidin-1-yl)-N'-phenylbenzohydrazide (CID 18121150) is N'-methyl-4-(2-oxopiperidin-1-yl)-N'-phenylbenzohydrazide.
What is the SMILES notation for N'-methyl-4-(2-oxopiperidin-1-yl)-N'-phenylbenzohydrazide?
The canonical SMILES for N'-methyl-4-(2-oxopiperidin-1-yl)-N'-phenylbenzohydrazide is CN(NC(=O)c1ccc(N2CCCCC2=O)cc1)c1ccccc1.
What is the InChIKey of N'-methyl-4-(2-oxopiperidin-1-yl)-N'-phenylbenzohydrazide?
The InChIKey is XXBKNRJVNPWGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-21(16-7-3-2-4-8-16)20-19(24)15-10-12-17(13-11-15)22-14-6-5-9-18(22)23/h2-4,7-8,10-13H,5-6,9,14H2,1H3,(H,20,24).
What are the key properties of N'-methyl-4-(2-oxopiperidin-1-yl)-N'-phenylbenzohydrazide?
N'-methyl-4-(2-oxopiperidin-1-yl)-N'-phenylbenzohydrazide has a molecular weight of 323.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-(2-oxopiperidin-1-yl)-N'-phenylbenzohydrazide is sourced from PubChem (CID 18121150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).