1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carbohydrazide

C21H27N3O3 — CID 54848264

IUPAC1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carbohydrazide
SMILESCOc1cc(CN2CCC(C(=O)NN)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C21H27N3O3/c1-26-20-13-17(14-24-11-9-18(10-12-24)21(25)23-22)7-8-19(20)27-15-16-5-3-2-4-6-16/h2-8,13,18H,9-12,14-15,22H2,1H3,(H,23,25)
InChIKeyDMTTYPRMDYRXJE-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.48
Rot. Bonds7

About 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carbohydrazide

1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carbohydrazide (PubChem CID 54848264) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carbohydrazide
PubChem CID54848264
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carbohydrazide
SMILESCOc1cc(CN2CCC(C(=O)NN)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C21H27N3O3/c1-26-20-13-17(14-24-11-9-18(10-12-24)21(25)23-22)7-8-19(20)27-15-16-5-3-2-4-6-16/h2-8,13,18H,9-12,14-15,22H2,1H3,(H,23,25)
InChIKeyDMTTYPRMDYRXJE-UHFFFAOYSA-N
XLogP2.48
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 23724334
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 3914392
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine;oxalic acid
CID 23724207
1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 2900377
[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-diphenylmethanol
CID 3435769
N-benzyl-N-(2-hydroxyethyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 2903593
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidin-1-ylpiperidine
CID 1375678
1-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-amine;ethane
CID 142128624
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326
4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine
CID 1376263
azepan-1-yl-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-3-yl]methanone;oxalic acid
CID 2933537
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 122040812

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carbohydrazide (CID 54848264) is 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carbohydrazide is COc1cc(CN2CCC(C(=O)NN)CC2)ccc1OCc1ccccc1.
What is the InChIKey of 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carbohydrazide?
The InChIKey is DMTTYPRMDYRXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-26-20-13-17(14-24-11-9-18(10-12-24)21(25)23-22)7-8-19(20)27-15-16-5-3-2-4-6-16/h2-8,13,18H,9-12,14-15,22H2,1H3,(H,23,25).
What are the key properties of 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carbohydrazide?
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carbohydrazide has a molecular weight of 369.47 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 54848264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).