1-(4-heptoxybenzoyl)piperidine-4-carbohydrazide

C20H31N3O3 — CID 54794046

IUPAC1-(4-heptoxybenzoyl)piperidine-4-carbohydrazide
SMILESCCCCCCCOc1ccc(C(=O)N2CCC(C(=O)NN)CC2)cc1
InChIInChI=1S/C20H31N3O3/c1-2-3-4-5-6-15-26-18-9-7-17(8-10-18)20(25)23-13-11-16(12-14-23)19(24)22-21/h7-10,16H,2-6,11-15,21H2,1H3,(H,22,24)
InChIKeyMVVCEMYZNNYLTL-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.88
Rot. Bonds9

About 1-(4-heptoxybenzoyl)piperidine-4-carbohydrazide

1-(4-heptoxybenzoyl)piperidine-4-carbohydrazide (PubChem CID 54794046) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-(4-heptoxybenzoyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(4-heptoxybenzoyl)piperidine-4-carbohydrazide
PubChem CID54794046
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name1-(4-heptoxybenzoyl)piperidine-4-carbohydrazide
SMILESCCCCCCCOc1ccc(C(=O)N2CCC(C(=O)NN)CC2)cc1
InChIInChI=1S/C20H31N3O3/c1-2-3-4-5-6-15-26-18-9-7-17(8-10-18)20(25)23-13-11-16(12-14-23)19(24)22-21/h7-10,16H,2-6,11-15,21H2,1H3,(H,22,24)
InChIKeyMVVCEMYZNNYLTL-UHFFFAOYSA-N
XLogP2.88
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.88
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

ethyl 1-(4-pentoxybenzoyl)piperidine-4-carboxylate
CID 17230839
1-[4-(2-phenoxyethoxy)benzoyl]piperidine-4-carbohydrazide
CID 54794066
(4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 92922661
1-(4-prop-2-enoxybenzoyl)piperidine-4-carbohydrazide
CID 54794178
[(3R)-3-aminopyrrolidin-1-yl]-(4-pentoxyphenyl)methanone
CID 119412519
morpholin-4-yl-[1-(4-pentoxybenzoyl)piperidin-4-yl]methanone
CID 112767205
[4-[4-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxypiperidine-1-carbonyl]phenyl] 4-dodecoxybenzoate
CID 102208723
[3-(aminomethyl)pyrrolidin-1-yl]-(4-pentoxyphenyl)methanone
CID 119486348
1-acetyl-N-(4-hexoxyphenyl)piperidine-4-carboxamide
CID 108792203
(4-butoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543778
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 120814614
1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide
CID 113005591

Frequently Asked Questions

What is the IUPAC name of 1-(4-heptoxybenzoyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-(4-heptoxybenzoyl)piperidine-4-carbohydrazide (CID 54794046) is 1-(4-heptoxybenzoyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-(4-heptoxybenzoyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-(4-heptoxybenzoyl)piperidine-4-carbohydrazide is CCCCCCCOc1ccc(C(=O)N2CCC(C(=O)NN)CC2)cc1.
What is the InChIKey of 1-(4-heptoxybenzoyl)piperidine-4-carbohydrazide?
The InChIKey is MVVCEMYZNNYLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-2-3-4-5-6-15-26-18-9-7-17(8-10-18)20(25)23-13-11-16(12-14-23)19(24)22-21/h7-10,16H,2-6,11-15,21H2,1H3,(H,22,24).
What are the key properties of 1-(4-heptoxybenzoyl)piperidine-4-carbohydrazide?
1-(4-heptoxybenzoyl)piperidine-4-carbohydrazide has a molecular weight of 361.49 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-heptoxybenzoyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 54794046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).