1-[(3-heptoxyphenyl)methyl]piperidine-3-carbohydrazide

C20H33N3O2 — CID 54848441

IUPAC1-[(3-heptoxyphenyl)methyl]piperidine-3-carbohydrazide
SMILESCCCCCCCOc1cccc(CN2CCCC(C(=O)NN)C2)c1
InChIInChI=1S/C20H33N3O2/c1-2-3-4-5-6-13-25-19-11-7-9-17(14-19)15-23-12-8-10-18(16-23)20(24)22-21/h7,9,11,14,18H,2-6,8,10,12-13,15-16,21H2,1H3,(H,22,24)
InChIKeyDIEFWOPRAQFHSN-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.24
Rot. Bonds10

About 1-[(3-heptoxyphenyl)methyl]piperidine-3-carbohydrazide

1-[(3-heptoxyphenyl)methyl]piperidine-3-carbohydrazide (PubChem CID 54848441) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-[(3-heptoxyphenyl)methyl]piperidine-3-carbohydrazide.

Molecular Properties

Compound Name1-[(3-heptoxyphenyl)methyl]piperidine-3-carbohydrazide
PubChem CID54848441
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name1-[(3-heptoxyphenyl)methyl]piperidine-3-carbohydrazide
SMILESCCCCCCCOc1cccc(CN2CCCC(C(=O)NN)C2)c1
InChIInChI=1S/C20H33N3O2/c1-2-3-4-5-6-13-25-19-11-7-9-17(14-19)15-23-12-8-10-18(16-23)20(24)22-21/h7,9,11,14,18H,2-6,8,10,12-13,15-16,21H2,1H3,(H,22,24)
InChIKeyDIEFWOPRAQFHSN-UHFFFAOYSA-N
XLogP3.24
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[(2-hexoxyphenyl)methyl]piperidine-3-carbohydrazide
CID 54848066
1-[[3-(3-methylbutoxy)phenyl]methyl]piperidine-3-carboxylic acid
CID 4016440
1-[(3-butoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4544564
1-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carbohydrazide
CID 54848162
[(3S)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 42095187
3-[[(3S)-3-ethoxycarbonylpiperidin-1-yl]methyl]benzoic acid
CID 122028809
(3R)-1-[(3-fluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 52819283
N-decyl-1-[[4-[[3-(decylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrobromide
CID 67872963
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propylurea
CID 14514747
1-[(3-ethoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 65066222
N-[5-[3-(piperidin-1-ylmethyl)phenoxy]pentan-2-yloxy]acetamide
CID 20567118
azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3796866

Frequently Asked Questions

What is the IUPAC name of 1-[(3-heptoxyphenyl)methyl]piperidine-3-carbohydrazide?
The IUPAC name of 1-[(3-heptoxyphenyl)methyl]piperidine-3-carbohydrazide (CID 54848441) is 1-[(3-heptoxyphenyl)methyl]piperidine-3-carbohydrazide.
What is the SMILES notation for 1-[(3-heptoxyphenyl)methyl]piperidine-3-carbohydrazide?
The canonical SMILES for 1-[(3-heptoxyphenyl)methyl]piperidine-3-carbohydrazide is CCCCCCCOc1cccc(CN2CCCC(C(=O)NN)C2)c1.
What is the InChIKey of 1-[(3-heptoxyphenyl)methyl]piperidine-3-carbohydrazide?
The InChIKey is DIEFWOPRAQFHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-2-3-4-5-6-13-25-19-11-7-9-17(14-19)15-23-12-8-10-18(16-23)20(24)22-21/h7,9,11,14,18H,2-6,8,10,12-13,15-16,21H2,1H3,(H,22,24).
What are the key properties of 1-[(3-heptoxyphenyl)methyl]piperidine-3-carbohydrazide?
1-[(3-heptoxyphenyl)methyl]piperidine-3-carbohydrazide has a molecular weight of 347.50 g/mol, XLogP of 3.24, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-heptoxyphenyl)methyl]piperidine-3-carbohydrazide is sourced from PubChem (CID 54848441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).