1-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidine-3-carbohydrazide

C22H31N3O2 — CID 54848268

IUPAC1-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidine-3-carbohydrazide
SMILESCC(C)CCOc1ccc2ccccc2c1CN1CCCC(C(=O)NN)C1
InChIInChI=1S/C22H31N3O2/c1-16(2)11-13-27-21-10-9-17-6-3-4-8-19(17)20(21)15-25-12-5-7-18(14-25)22(26)24-23/h3-4,6,8-10,16,18H,5,7,11-15,23H2,1-2H3,(H,24,26)
InChIKeyZYLLXOJZJQTDMJ-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.47
Rot. Bonds7

About 1-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidine-3-carbohydrazide

1-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidine-3-carbohydrazide (PubChem CID 54848268) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidine-3-carbohydrazide.

Molecular Properties

Compound Name1-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidine-3-carbohydrazide
PubChem CID54848268
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name1-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidine-3-carbohydrazide
SMILESCC(C)CCOc1ccc2ccccc2c1CN1CCCC(C(=O)NN)C1
InChIInChI=1S/C22H31N3O2/c1-16(2)11-13-27-21-10-9-17-6-3-4-8-19(17)20(21)15-25-12-5-7-18(14-25)22(26)24-23/h3-4,6,8-10,16,18H,5,7,11-15,23H2,1-2H3,(H,24,26)
InChIKeyZYLLXOJZJQTDMJ-UHFFFAOYSA-N
XLogP3.47
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.47
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-[(2-prop-2-enoxynaphthalen-1-yl)methyl]piperidine-3-carboxylic acid
CID 54848110
1-[[2-(difluoromethoxy)naphthalen-1-yl]methyl]piperidine-3-carboxylic acid
CID 122040798
1-[(2-hexoxyphenyl)methyl]piperidine-3-carbohydrazide
CID 54848066
1-[4-(3-methylbutoxy)benzoyl]piperidine-3-carbohydrazide
CID 54793981
[2-(3-methylbutoxy)naphthalen-1-yl]methanol
CID 43505713
1-[(2-ethoxynaphthalen-1-yl)methyl]piperidine
CID 141150961
(3S,4S)-1-[(2-ethoxynaphthalen-1-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid
CID 135094948
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 93490056
N-[[2-(2-pyrrolidin-1-ylethoxy)naphthalen-1-yl]methyl]ethanamine
CID 39313180
ethyl 1-(naphthalen-1-ylmethyl)piperidine-3-carboxylate
CID 2838593
3-methyl-N-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine
CID 54848926
(3S,4S)-3-hydroxy-1-[(2-propan-2-yloxynaphthalen-1-yl)methyl]piperidine-4-carboxylic acid
CID 135111768

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidine-3-carbohydrazide?
The IUPAC name of 1-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidine-3-carbohydrazide (CID 54848268) is 1-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidine-3-carbohydrazide.
What is the SMILES notation for 1-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidine-3-carbohydrazide?
The canonical SMILES for 1-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidine-3-carbohydrazide is CC(C)CCOc1ccc2ccccc2c1CN1CCCC(C(=O)NN)C1.
What is the InChIKey of 1-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidine-3-carbohydrazide?
The InChIKey is ZYLLXOJZJQTDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-16(2)11-13-27-21-10-9-17-6-3-4-8-19(17)20(21)15-25-12-5-7-18(14-25)22(26)24-23/h3-4,6,8-10,16,18H,5,7,11-15,23H2,1-2H3,(H,24,26).
What are the key properties of 1-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidine-3-carbohydrazide?
1-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidine-3-carbohydrazide has a molecular weight of 369.51 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidine-3-carbohydrazide is sourced from PubChem (CID 54848268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).