N'-(3-methoxy-4-propoxybenzoyl)-1-(4-methylbenzoyl)piperidine-3-carbohydrazide

C25H31N3O5 — CID 55624623

IUPACN'-(3-methoxy-4-propoxybenzoyl)-1-(4-methylbenzoyl)piperidine-3-carbohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)C2CCCN(C(=O)c3ccc(C)cc3)C2)cc1OC
InChIInChI=1S/C25H31N3O5/c1-4-14-33-21-12-11-19(15-22(21)32-3)23(29)26-27-24(30)20-6-5-13-28(16-20)25(31)18-9-7-17(2)8-10-18/h7-12,15,20H,4-6,13-14,16H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyNBJUQMCZUKZJLE-UHFFFAOYSA-N
MW453.54 g/mol
LogP3.11
Rot. Bonds7

About N'-(3-methoxy-4-propoxybenzoyl)-1-(4-methylbenzoyl)piperidine-3-carbohydrazide

N'-(3-methoxy-4-propoxybenzoyl)-1-(4-methylbenzoyl)piperidine-3-carbohydrazide (PubChem CID 55624623) has the molecular formula C25H31N3O5 and a molecular weight of 453.54 g/mol. Its IUPAC name is N'-(3-methoxy-4-propoxybenzoyl)-1-(4-methylbenzoyl)piperidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methoxy-4-propoxybenzoyl)-1-(4-methylbenzoyl)piperidine-3-carbohydrazide
PubChem CID55624623
Molecular FormulaC25H31N3O5
Molecular Weight453.54 g/mol
Exact Mass453.23
IUPAC NameN'-(3-methoxy-4-propoxybenzoyl)-1-(4-methylbenzoyl)piperidine-3-carbohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)C2CCCN(C(=O)c3ccc(C)cc3)C2)cc1OC
InChIInChI=1S/C25H31N3O5/c1-4-14-33-21-12-11-19(15-22(21)32-3)23(29)26-27-24(30)20-6-5-13-28(16-20)25(31)18-9-7-17(2)8-10-18/h7-12,15,20H,4-6,13-14,16H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyNBJUQMCZUKZJLE-UHFFFAOYSA-N
XLogP3.11
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide
CID 9090523
1-(4-butoxy-3-methoxybenzoyl)-N-propylpiperidine-3-carboxamide
CID 49403077
N-(2-butoxy-5-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46441561
N'-(4-ethoxy-3-methoxybenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide
CID 46407957
N-(2-aminoethyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481384
N-[3-(2-methoxyethoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 51114268
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 55459376
methyl 4,5-dimethoxy-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]benzoate
CID 46404099
(3S)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-3-carboxylic acid
CID 119113504
ethyl (3R)-1-(4-ethoxy-3-methoxybenzoyl)piperidine-3-carboxylate
CID 94014630
4-butoxy-3-methoxy-N'-[(1S,3R)-3-(trifluoromethyl)cyclohexanecarbonyl]benzohydrazide
CID 51959294
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxy-4-propoxybenzoyl)-1-(4-methylbenzoyl)piperidine-3-carbohydrazide?
The IUPAC name of N'-(3-methoxy-4-propoxybenzoyl)-1-(4-methylbenzoyl)piperidine-3-carbohydrazide (CID 55624623) is N'-(3-methoxy-4-propoxybenzoyl)-1-(4-methylbenzoyl)piperidine-3-carbohydrazide.
What is the SMILES notation for N'-(3-methoxy-4-propoxybenzoyl)-1-(4-methylbenzoyl)piperidine-3-carbohydrazide?
The canonical SMILES for N'-(3-methoxy-4-propoxybenzoyl)-1-(4-methylbenzoyl)piperidine-3-carbohydrazide is CCCOc1ccc(C(=O)NNC(=O)C2CCCN(C(=O)c3ccc(C)cc3)C2)cc1OC.
What is the InChIKey of N'-(3-methoxy-4-propoxybenzoyl)-1-(4-methylbenzoyl)piperidine-3-carbohydrazide?
The InChIKey is NBJUQMCZUKZJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5/c1-4-14-33-21-12-11-19(15-22(21)32-3)23(29)26-27-24(30)20-6-5-13-28(16-20)25(31)18-9-7-17(2)8-10-18/h7-12,15,20H,4-6,13-14,16H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of N'-(3-methoxy-4-propoxybenzoyl)-1-(4-methylbenzoyl)piperidine-3-carbohydrazide?
N'-(3-methoxy-4-propoxybenzoyl)-1-(4-methylbenzoyl)piperidine-3-carbohydrazide has a molecular weight of 453.54 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxy-4-propoxybenzoyl)-1-(4-methylbenzoyl)piperidine-3-carbohydrazide is sourced from PubChem (CID 55624623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).