3-(dimethylamino)-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide

C21H24N4O3 — CID 35768592

IUPAC3-(dimethylamino)-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide
SMILESCN(C)c1cccc(C(=O)NNC(=O)c2ccc(N3CCCCC3=O)cc2)c1
InChIInChI=1S/C21H24N4O3/c1-24(2)18-7-5-6-16(14-18)21(28)23-22-20(27)15-9-11-17(12-10-15)25-13-4-3-8-19(25)26/h5-7,9-12,14H,3-4,8,13H2,1-2H3,(H,22,27)(H,23,28)
InChIKeySWRQCIUKYURNNG-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.34
Rot. Bonds4

About 3-(dimethylamino)-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide

3-(dimethylamino)-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide (PubChem CID 35768592) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-(dimethylamino)-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide.

Molecular Properties

Compound Name3-(dimethylamino)-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide
PubChem CID35768592
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name3-(dimethylamino)-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide
SMILESCN(C)c1cccc(C(=O)NNC(=O)c2ccc(N3CCCCC3=O)cc2)c1
InChIInChI=1S/C21H24N4O3/c1-24(2)18-7-5-6-16(14-18)21(28)23-22-20(27)15-9-11-17(12-10-15)25-13-4-3-8-19(25)26/h5-7,9-12,14H,3-4,8,13H2,1-2H3,(H,22,27)(H,23,28)
InChIKeySWRQCIUKYURNNG-UHFFFAOYSA-N
XLogP2.34
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-4-(2-oxopiperidin-1-yl)-N'-phenylbenzohydrazide
CID 18121150
N,N-dimethyl-3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
CID 51339093
2-fluoro-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide
CID 31794745
N'-[4-(2-oxopiperidin-1-yl)benzoyl]pyridine-2-carbohydrazide
CID 18108449
N'-(4-tert-butylbenzoyl)-3-(dimethylamino)benzohydrazide
CID 26184746
4-bromo-1-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]pyrrole-2-carbohydrazide
CID 24533060
N-methoxy-4-(2-oxopiperidin-1-yl)benzamide
CID 51279408
3,4-dimethoxy-N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
CID 34253914
3-chloro-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687271
2-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]imidazo[1,2-a]pyridine-3-carbohydrazide
CID 24514111
N-methyl-N-naphthalen-2-yl-4-(2-oxopiperidin-1-yl)benzamide
CID 55429642
N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 7479792

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide?
The IUPAC name of 3-(dimethylamino)-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide (CID 35768592) is 3-(dimethylamino)-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide.
What is the SMILES notation for 3-(dimethylamino)-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide?
The canonical SMILES for 3-(dimethylamino)-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide is CN(C)c1cccc(C(=O)NNC(=O)c2ccc(N3CCCCC3=O)cc2)c1.
What is the InChIKey of 3-(dimethylamino)-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide?
The InChIKey is SWRQCIUKYURNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-24(2)18-7-5-6-16(14-18)21(28)23-22-20(27)15-9-11-17(12-10-15)25-13-4-3-8-19(25)26/h5-7,9-12,14H,3-4,8,13H2,1-2H3,(H,22,27)(H,23,28).
What are the key properties of 3-(dimethylamino)-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide?
3-(dimethylamino)-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide has a molecular weight of 380.45 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide is sourced from PubChem (CID 35768592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).