1-acetyl-N-[[4-(4-tert-butylanilino)phenyl]methyl]-N-hydroxypiperidine-4-carboxamide

C25H33N3O3 — CID 166062580

IUPAC1-acetyl-N-[[4-(4-tert-butylanilino)phenyl]methyl]-N-hydroxypiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(O)Cc2ccc(Nc3ccc(C(C)(C)C)cc3)cc2)CC1
InChIInChI=1S/C25H33N3O3/c1-18(29)27-15-13-20(14-16-27)24(30)28(31)17-19-5-9-22(10-6-19)26-23-11-7-21(8-12-23)25(2,3)4/h5-12,20,26,31H,13-17H2,1-4H3
InChIKeyMSIGZVNASMIBAA-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.70
Rot. Bonds5

About 1-acetyl-N-[[4-(4-tert-butylanilino)phenyl]methyl]-N-hydroxypiperidine-4-carboxamide

1-acetyl-N-[[4-(4-tert-butylanilino)phenyl]methyl]-N-hydroxypiperidine-4-carboxamide (PubChem CID 166062580) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 1-acetyl-N-[[4-(4-tert-butylanilino)phenyl]methyl]-N-hydroxypiperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[[4-(4-tert-butylanilino)phenyl]methyl]-N-hydroxypiperidine-4-carboxamide
PubChem CID166062580
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name1-acetyl-N-[[4-(4-tert-butylanilino)phenyl]methyl]-N-hydroxypiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(O)Cc2ccc(Nc3ccc(C(C)(C)C)cc3)cc2)CC1
InChIInChI=1S/C25H33N3O3/c1-18(29)27-15-13-20(14-16-27)24(30)28(31)17-19-5-9-22(10-6-19)26-23-11-7-21(8-12-23)25(2,3)4/h5-12,20,26,31H,13-17H2,1-4H3
InChIKeyMSIGZVNASMIBAA-UHFFFAOYSA-N
XLogP4.70
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[[4-(4-tert-butylanilino)phenyl]methyl]-N-hydroxypiperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[[4-(4-tert-butylanilino)phenyl]methyl]-N-hydroxypiperidine-4-carboxamide (CID 166062580) is 1-acetyl-N-[[4-(4-tert-butylanilino)phenyl]methyl]-N-hydroxypiperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[[4-(4-tert-butylanilino)phenyl]methyl]-N-hydroxypiperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[[4-(4-tert-butylanilino)phenyl]methyl]-N-hydroxypiperidine-4-carboxamide is CC(=O)N1CCC(C(=O)N(O)Cc2ccc(Nc3ccc(C(C)(C)C)cc3)cc2)CC1.
What is the InChIKey of 1-acetyl-N-[[4-(4-tert-butylanilino)phenyl]methyl]-N-hydroxypiperidine-4-carboxamide?
The InChIKey is MSIGZVNASMIBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-18(29)27-15-13-20(14-16-27)24(30)28(31)17-19-5-9-22(10-6-19)26-23-11-7-21(8-12-23)25(2,3)4/h5-12,20,26,31H,13-17H2,1-4H3.
What are the key properties of 1-acetyl-N-[[4-(4-tert-butylanilino)phenyl]methyl]-N-hydroxypiperidine-4-carboxamide?
1-acetyl-N-[[4-(4-tert-butylanilino)phenyl]methyl]-N-hydroxypiperidine-4-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[[4-(4-tert-butylanilino)phenyl]methyl]-N-hydroxypiperidine-4-carboxamide is sourced from PubChem (CID 166062580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).