5-chloro-N-[1-[4-[1-(2,2-dimethylhydrazinyl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]propan-2-yl]-2-piperidin-1-ylbenzamide

C27H37ClN4O3 — CID 69406286

IUPAC5-chloro-N-[1-[4-[1-(2,2-dimethylhydrazinyl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]propan-2-yl]-2-piperidin-1-ylbenzamide
SMILESCC(Cc1ccc(OC(C)(C)C(=O)NN(C)C)cc1)NC(=O)c1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C27H37ClN4O3/c1-19(17-20-9-12-22(13-10-20)35-27(2,3)26(34)30-31(4)5)29-25(33)23-18-21(28)11-14-24(23)32-15-7-6-8-16-32/h9-14,18-19H,6-8,15-17H2,1-5H3,(H,29,33)(H,30,34)
InChIKeyINHHFFYPNUIEEB-UHFFFAOYSA-N
MW501.07 g/mol
LogP4.44
Rot. Bonds9

About 5-chloro-N-[1-[4-[1-(2,2-dimethylhydrazinyl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]propan-2-yl]-2-piperidin-1-ylbenzamide

5-chloro-N-[1-[4-[1-(2,2-dimethylhydrazinyl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]propan-2-yl]-2-piperidin-1-ylbenzamide (PubChem CID 69406286) has the molecular formula C27H37ClN4O3 and a molecular weight of 501.07 g/mol. Its IUPAC name is 5-chloro-N-[1-[4-[1-(2,2-dimethylhydrazinyl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]propan-2-yl]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-chloro-N-[1-[4-[1-(2,2-dimethylhydrazinyl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]propan-2-yl]-2-piperidin-1-ylbenzamide
PubChem CID69406286
Molecular FormulaC27H37ClN4O3
Molecular Weight501.07 g/mol
Exact Mass500.26
IUPAC Name5-chloro-N-[1-[4-[1-(2,2-dimethylhydrazinyl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]propan-2-yl]-2-piperidin-1-ylbenzamide
SMILESCC(Cc1ccc(OC(C)(C)C(=O)NN(C)C)cc1)NC(=O)c1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C27H37ClN4O3/c1-19(17-20-9-12-22(13-10-20)35-27(2,3)26(34)30-31(4)5)29-25(33)23-18-21(28)11-14-24(23)32-15-7-6-8-16-32/h9-14,18-19H,6-8,15-17H2,1-5H3,(H,29,33)(H,30,34)
InChIKeyINHHFFYPNUIEEB-UHFFFAOYSA-N
XLogP4.44
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.07
LogP ≤ 54.44
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[4-[1-(2,2-dimethylhydrazinyl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]propan-2-yl]-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-chloro-N-[1-[4-[1-(2,2-dimethylhydrazinyl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]propan-2-yl]-2-piperidin-1-ylbenzamide (CID 69406286) is 5-chloro-N-[1-[4-[1-(2,2-dimethylhydrazinyl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]propan-2-yl]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-chloro-N-[1-[4-[1-(2,2-dimethylhydrazinyl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]propan-2-yl]-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-chloro-N-[1-[4-[1-(2,2-dimethylhydrazinyl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]propan-2-yl]-2-piperidin-1-ylbenzamide is CC(Cc1ccc(OC(C)(C)C(=O)NN(C)C)cc1)NC(=O)c1cc(Cl)ccc1N1CCCCC1.
What is the InChIKey of 5-chloro-N-[1-[4-[1-(2,2-dimethylhydrazinyl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]propan-2-yl]-2-piperidin-1-ylbenzamide?
The InChIKey is INHHFFYPNUIEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37ClN4O3/c1-19(17-20-9-12-22(13-10-20)35-27(2,3)26(34)30-31(4)5)29-25(33)23-18-21(28)11-14-24(23)32-15-7-6-8-16-32/h9-14,18-19H,6-8,15-17H2,1-5H3,(H,29,33)(H,30,34).
What are the key properties of 5-chloro-N-[1-[4-[1-(2,2-dimethylhydrazinyl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]propan-2-yl]-2-piperidin-1-ylbenzamide?
5-chloro-N-[1-[4-[1-(2,2-dimethylhydrazinyl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]propan-2-yl]-2-piperidin-1-ylbenzamide has a molecular weight of 501.07 g/mol, XLogP of 4.44, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[4-[1-(2,2-dimethylhydrazinyl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]propan-2-yl]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 69406286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).