3-[(4-oxopiperidin-1-yl)methyl]benzohydrazide

C13H17N3O2 — CID 63573220

IUPAC3-[(4-oxopiperidin-1-yl)methyl]benzohydrazide
SMILESNNC(=O)c1cccc(CN2CCC(=O)CC2)c1
InChIInChI=1S/C13H17N3O2/c14-15-13(18)11-3-1-2-10(8-11)9-16-6-4-12(17)5-7-16/h1-3,8H,4-7,9,14H2,(H,15,18)
InChIKeyDQJFMVRDPAPCFR-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.46
Rot. Bonds3

About 3-[(4-oxopiperidin-1-yl)methyl]benzohydrazide

3-[(4-oxopiperidin-1-yl)methyl]benzohydrazide (PubChem CID 63573220) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-[(4-oxopiperidin-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name3-[(4-oxopiperidin-1-yl)methyl]benzohydrazide
PubChem CID63573220
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-[(4-oxopiperidin-1-yl)methyl]benzohydrazide
SMILESNNC(=O)c1cccc(CN2CCC(=O)CC2)c1
InChIInChI=1S/C13H17N3O2/c14-15-13(18)11-3-1-2-10(8-11)9-16-6-4-12(17)5-7-16/h1-3,8H,4-7,9,14H2,(H,15,18)
InChIKeyDQJFMVRDPAPCFR-UHFFFAOYSA-N
XLogP0.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide
CID 63577694
propan-2-yl 3-[(4-oxopiperidin-1-yl)methyl]benzoate
CID 82342755
3-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzohydrazide
CID 107408896
3-(pyrrol-1-ylmethyl)benzohydrazide
CID 100793873
3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide
CID 63568661
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
3-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]benzohydrazide
CID 114801981
3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]benzohydrazide
CID 63619720
3-[(2-methylmorpholin-4-yl)methyl]benzohydrazide
CID 63569378
3-[(2,5-dimethylpyrrol-1-yl)methyl]benzohydrazide
CID 100793902
3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
3-(azepan-1-ylmethyl)benzoic acid;hydrochloride
CID 138113123

Frequently Asked Questions

What is the IUPAC name of 3-[(4-oxopiperidin-1-yl)methyl]benzohydrazide?
The IUPAC name of 3-[(4-oxopiperidin-1-yl)methyl]benzohydrazide (CID 63573220) is 3-[(4-oxopiperidin-1-yl)methyl]benzohydrazide.
What is the SMILES notation for 3-[(4-oxopiperidin-1-yl)methyl]benzohydrazide?
The canonical SMILES for 3-[(4-oxopiperidin-1-yl)methyl]benzohydrazide is NNC(=O)c1cccc(CN2CCC(=O)CC2)c1.
What is the InChIKey of 3-[(4-oxopiperidin-1-yl)methyl]benzohydrazide?
The InChIKey is DQJFMVRDPAPCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-15-13(18)11-3-1-2-10(8-11)9-16-6-4-12(17)5-7-16/h1-3,8H,4-7,9,14H2,(H,15,18).
What are the key properties of 3-[(4-oxopiperidin-1-yl)methyl]benzohydrazide?
3-[(4-oxopiperidin-1-yl)methyl]benzohydrazide has a molecular weight of 247.30 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-oxopiperidin-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 63573220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).