1-[2-(3-methylphenoxy)butanoyl]piperidine-3-carbohydrazide

C17H25N3O3 — CID 54793901

IUPAC1-[2-(3-methylphenoxy)butanoyl]piperidine-3-carbohydrazide
SMILESCCC(Oc1cccc(C)c1)C(=O)N1CCCC(C(=O)NN)C1
InChIInChI=1S/C17H25N3O3/c1-3-15(23-14-8-4-6-12(2)10-14)17(22)20-9-5-7-13(11-20)16(21)19-18/h4,6,8,10,13,15H,3,5,7,9,11,18H2,1-2H3,(H,19,21)
InChIKeyGKSMEASWLZDKSP-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.38
Rot. Bonds5

About 1-[2-(3-methylphenoxy)butanoyl]piperidine-3-carbohydrazide

1-[2-(3-methylphenoxy)butanoyl]piperidine-3-carbohydrazide (PubChem CID 54793901) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-[2-(3-methylphenoxy)butanoyl]piperidine-3-carbohydrazide.

Molecular Properties

Compound Name1-[2-(3-methylphenoxy)butanoyl]piperidine-3-carbohydrazide
PubChem CID54793901
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name1-[2-(3-methylphenoxy)butanoyl]piperidine-3-carbohydrazide
SMILESCCC(Oc1cccc(C)c1)C(=O)N1CCCC(C(=O)NN)C1
InChIInChI=1S/C17H25N3O3/c1-3-15(23-14-8-4-6-12(2)10-14)17(22)20-9-5-7-13(11-20)16(21)19-18/h4,6,8,10,13,15H,3,5,7,9,11,18H2,1-2H3,(H,19,21)
InChIKeyGKSMEASWLZDKSP-UHFFFAOYSA-N
XLogP1.38
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.38
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

1-(3-aminopiperidin-1-yl)-2-(3-methylphenoxy)butan-1-one
CID 119380669
1-(4-benzylpiperidin-1-yl)-2-(3-methylphenoxy)butan-1-one
CID 43904563
1-(3-ethoxybenzoyl)piperidine-3-carbohydrazide
CID 54793893
N-(2-aminoethyl)-1-[2-(2-chlorophenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride
CID 119481611
2-(3-methylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 46771493
2-(3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 4928588
(2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methylphenoxy)butanamide
CID 92947905
(2S)-2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 95119203
(2R)-2-(2,5-dimethylphenoxy)-1-[(3S)-3-methylpiperidin-1-yl]butan-1-one
CID 92676689
(2R)-N-[3-(azepan-1-yl)propyl]-2-(3-methylphenoxy)butanamide
CID 30399469
(3R)-3-hydroxy-N-[(2R)-2-(3-methylphenoxy)butyl]piperidine-1-carboxamide
CID 97025727
methyl 1-[2-(3-methoxyphenoxy)butanoyl]piperidine-4-carboxylate
CID 46763822

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenoxy)butanoyl]piperidine-3-carbohydrazide?
The IUPAC name of 1-[2-(3-methylphenoxy)butanoyl]piperidine-3-carbohydrazide (CID 54793901) is 1-[2-(3-methylphenoxy)butanoyl]piperidine-3-carbohydrazide.
What is the SMILES notation for 1-[2-(3-methylphenoxy)butanoyl]piperidine-3-carbohydrazide?
The canonical SMILES for 1-[2-(3-methylphenoxy)butanoyl]piperidine-3-carbohydrazide is CCC(Oc1cccc(C)c1)C(=O)N1CCCC(C(=O)NN)C1.
What is the InChIKey of 1-[2-(3-methylphenoxy)butanoyl]piperidine-3-carbohydrazide?
The InChIKey is GKSMEASWLZDKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-15(23-14-8-4-6-12(2)10-14)17(22)20-9-5-7-13(11-20)16(21)19-18/h4,6,8,10,13,15H,3,5,7,9,11,18H2,1-2H3,(H,19,21).
What are the key properties of 1-[2-(3-methylphenoxy)butanoyl]piperidine-3-carbohydrazide?
1-[2-(3-methylphenoxy)butanoyl]piperidine-3-carbohydrazide has a molecular weight of 319.40 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenoxy)butanoyl]piperidine-3-carbohydrazide is sourced from PubChem (CID 54793901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).