1-(3,3-dimethyl-2-oxopentanoyl)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-2-carbohydrazide

C25H37N3O7 — CID 23532246

IUPAC1-(3,3-dimethyl-2-oxopentanoyl)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-2-carbohydrazide
SMILESCCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)NNC(=O)CCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C25H37N3O7/c1-7-25(2,3)22(30)24(32)28-13-9-8-10-17(28)23(31)27-26-20(29)12-11-16-14-18(33-4)21(35-6)19(15-16)34-5/h14-15,17H,7-13H2,1-6H3,(H,26,29)(H,27,31)
InChIKeyYJVXMHYJJMEZRC-UHFFFAOYSA-N
MW491.59 g/mol
LogP2.18
Rot. Bonds10

About 1-(3,3-dimethyl-2-oxopentanoyl)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-2-carbohydrazide

1-(3,3-dimethyl-2-oxopentanoyl)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-2-carbohydrazide (PubChem CID 23532246) has the molecular formula C25H37N3O7 and a molecular weight of 491.59 g/mol. Its IUPAC name is 1-(3,3-dimethyl-2-oxopentanoyl)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-2-carbohydrazide.

Molecular Properties

Compound Name1-(3,3-dimethyl-2-oxopentanoyl)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-2-carbohydrazide
PubChem CID23532246
Molecular FormulaC25H37N3O7
Molecular Weight491.59 g/mol
Exact Mass491.26
IUPAC Name1-(3,3-dimethyl-2-oxopentanoyl)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-2-carbohydrazide
SMILESCCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)NNC(=O)CCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C25H37N3O7/c1-7-25(2,3)22(30)24(32)28-13-9-8-10-17(28)23(31)27-26-20(29)12-11-16-14-18(33-4)21(35-6)19(15-16)34-5/h14-15,17H,7-13H2,1-6H3,(H,26,29)(H,27,31)
InChIKeyYJVXMHYJJMEZRC-UHFFFAOYSA-N
XLogP2.18
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-(3,3-dimethyl-2-oxopentanoyl)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-2-carbohydrazide with MolForge

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Related Compounds

1-(2-cyclohexyl-2-oxoacetyl)-N-[3-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxamide
CID 87056791
1-[(2S)-2-ethylpiperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 94337272
(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N'-methylpyrrolidine-2-carbohydrazide
CID 142038755
N'-[3-(3,4-dimethoxyphenyl)propanoyl]cyclopropanecarbohydrazide
CID 26798763
(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N-(4-phenylbutyl)piperidine-2-carboxamide
CID 10937920
1-[2-(5,6-dimethoxybenzimidazole-1-carbonyl)pyrrolidin-1-yl]-3,3-dimethylpentane-1,2-dione
CID 15981161
N-piperidin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119425485
N-(1-amino-2-methylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 119522297
[3-(3,4-dimethoxyphenyl)-1-[3-[(1R)-1-sulfanylethyl]phenyl]propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
CID 163744706
3-(3,4,5-trimethoxyphenyl)propyl 1-[2-(1-hydroxycyclohexyl)-2-oxoacetyl]piperidine-2-carboxylate
CID 87056866
N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-3-(3,4,5-trimethoxyphenyl)propanehydrazide
CID 46463707
propyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
CID 86586326

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-2-oxopentanoyl)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-2-carbohydrazide?
The IUPAC name of 1-(3,3-dimethyl-2-oxopentanoyl)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-2-carbohydrazide (CID 23532246) is 1-(3,3-dimethyl-2-oxopentanoyl)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-2-carbohydrazide.
What is the SMILES notation for 1-(3,3-dimethyl-2-oxopentanoyl)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-2-carbohydrazide?
The canonical SMILES for 1-(3,3-dimethyl-2-oxopentanoyl)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-2-carbohydrazide is CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)NNC(=O)CCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 1-(3,3-dimethyl-2-oxopentanoyl)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-2-carbohydrazide?
The InChIKey is YJVXMHYJJMEZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O7/c1-7-25(2,3)22(30)24(32)28-13-9-8-10-17(28)23(31)27-26-20(29)12-11-16-14-18(33-4)21(35-6)19(15-16)34-5/h14-15,17H,7-13H2,1-6H3,(H,26,29)(H,27,31).
What are the key properties of 1-(3,3-dimethyl-2-oxopentanoyl)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-2-carbohydrazide?
1-(3,3-dimethyl-2-oxopentanoyl)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-2-carbohydrazide has a molecular weight of 491.59 g/mol, XLogP of 2.18, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-2-oxopentanoyl)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-2-carbohydrazide is sourced from PubChem (CID 23532246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).