N'-[2-(3-aminopiperidin-1-yl)acetyl]benzohydrazide

C14H20N4O2 — CID 61295576

IUPACN'-[2-(3-aminopiperidin-1-yl)acetyl]benzohydrazide
SMILESNC1CCCN(CC(=O)NNC(=O)c2ccccc2)C1
InChIInChI=1S/C14H20N4O2/c15-12-7-4-8-18(9-12)10-13(19)16-17-14(20)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,15H2,(H,16,19)(H,17,20)
InChIKeyDCFKQPHQZNEQER-UHFFFAOYSA-N
MW276.34 g/mol
LogP-0.13
Rot. Bonds3

About N'-[2-(3-aminopiperidin-1-yl)acetyl]benzohydrazide

N'-[2-(3-aminopiperidin-1-yl)acetyl]benzohydrazide (PubChem CID 61295576) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N'-[2-(3-aminopiperidin-1-yl)acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(3-aminopiperidin-1-yl)acetyl]benzohydrazide
PubChem CID61295576
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN'-[2-(3-aminopiperidin-1-yl)acetyl]benzohydrazide
SMILESNC1CCCN(CC(=O)NNC(=O)c2ccccc2)C1
InChIInChI=1S/C14H20N4O2/c15-12-7-4-8-18(9-12)10-13(19)16-17-14(20)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,15H2,(H,16,19)(H,17,20)
InChIKeyDCFKQPHQZNEQER-UHFFFAOYSA-N
XLogP-0.13
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (3S)-1-[2-(2-benzoylhydrazinyl)-2-oxoethyl]piperidine-3-carboxylate
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N'-[2-(3-methylpiperazin-1-yl)acetyl]benzohydrazide
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2-[(3R)-3-aminopiperidin-1-yl]-N-(2-chlorophenyl)acetamide
CID 102977528
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N'-(2-morpholin-4-ylacetyl)benzohydrazide
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2-(3-aminopiperidin-1-yl)-N-(2-phenoxyethyl)acetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-aminopiperidin-1-yl)acetyl]benzohydrazide?
The IUPAC name of N'-[2-(3-aminopiperidin-1-yl)acetyl]benzohydrazide (CID 61295576) is N'-[2-(3-aminopiperidin-1-yl)acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-(3-aminopiperidin-1-yl)acetyl]benzohydrazide?
The canonical SMILES for N'-[2-(3-aminopiperidin-1-yl)acetyl]benzohydrazide is NC1CCCN(CC(=O)NNC(=O)c2ccccc2)C1.
What is the InChIKey of N'-[2-(3-aminopiperidin-1-yl)acetyl]benzohydrazide?
The InChIKey is DCFKQPHQZNEQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c15-12-7-4-8-18(9-12)10-13(19)16-17-14(20)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,15H2,(H,16,19)(H,17,20).
What are the key properties of N'-[2-(3-aminopiperidin-1-yl)acetyl]benzohydrazide?
N'-[2-(3-aminopiperidin-1-yl)acetyl]benzohydrazide has a molecular weight of 276.34 g/mol, XLogP of -0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-aminopiperidin-1-yl)acetyl]benzohydrazide is sourced from PubChem (CID 61295576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).