N'-(4-ethoxy-3-methoxybenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide

C24H29N3O5 — CID 46407957

IUPACN'-(4-ethoxy-3-methoxybenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)C2CCCN(C(=O)Cc3ccccc3)C2)cc1OC
InChIInChI=1S/C24H29N3O5/c1-3-32-20-12-11-18(15-21(20)31-2)23(29)25-26-24(30)19-10-7-13-27(16-19)22(28)14-17-8-5-4-6-9-17/h4-6,8-9,11-12,15,19H,3,7,10,13-14,16H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyJEDOLWOJRGFGHS-UHFFFAOYSA-N
MW439.51 g/mol
LogP2.34
Rot. Bonds7

About N'-(4-ethoxy-3-methoxybenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide

N'-(4-ethoxy-3-methoxybenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide (PubChem CID 46407957) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is N'-(4-ethoxy-3-methoxybenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxy-3-methoxybenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide
PubChem CID46407957
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC NameN'-(4-ethoxy-3-methoxybenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)C2CCCN(C(=O)Cc3ccccc3)C2)cc1OC
InChIInChI=1S/C24H29N3O5/c1-3-32-20-12-11-18(15-21(20)31-2)23(29)25-26-24(30)19-10-7-13-27(16-19)22(28)14-17-8-5-4-6-9-17/h4-6,8-9,11-12,15,19H,3,7,10,13-14,16H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyJEDOLWOJRGFGHS-UHFFFAOYSA-N
XLogP2.34
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 52.34
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
N'-(4-chlorobenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide
CID 46407573
N'-(cyclohexanecarbonyl)-3,4-diethoxybenzohydrazide
CID 912683
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55637812
N'-(3-methoxy-4-propoxybenzoyl)-1-(4-methylbenzoyl)piperidine-3-carbohydrazide
CID 55624623
1-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 55605700
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55608281
2-(3-methoxy-4-phenylmethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 71313895
(3S)-3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide
CID 9084642
ethyl (3R)-1-(4-ethoxy-3-methoxybenzoyl)piperidine-3-carboxylate
CID 94014630
methyl 2-[[4-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]benzoyl]amino]acetate
CID 55607181
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 650859

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxy-3-methoxybenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide?
The IUPAC name of N'-(4-ethoxy-3-methoxybenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide (CID 46407957) is N'-(4-ethoxy-3-methoxybenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide.
What is the SMILES notation for N'-(4-ethoxy-3-methoxybenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide?
The canonical SMILES for N'-(4-ethoxy-3-methoxybenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide is CCOc1ccc(C(=O)NNC(=O)C2CCCN(C(=O)Cc3ccccc3)C2)cc1OC.
What is the InChIKey of N'-(4-ethoxy-3-methoxybenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide?
The InChIKey is JEDOLWOJRGFGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-3-32-20-12-11-18(15-21(20)31-2)23(29)25-26-24(30)19-10-7-13-27(16-19)22(28)14-17-8-5-4-6-9-17/h4-6,8-9,11-12,15,19H,3,7,10,13-14,16H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of N'-(4-ethoxy-3-methoxybenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide?
N'-(4-ethoxy-3-methoxybenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide has a molecular weight of 439.51 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxy-3-methoxybenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide is sourced from PubChem (CID 46407957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).