N-[[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride

C25H34ClN3O3 — CID 90046481

IUPACN-[[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Cc1ccc(CCCCc2ccc(CNC(=O)C3CCNCC3)cc2)cc1)NO
InChIInChI=1S/C25H33N3O3.ClH/c29-24(28-31)17-21-9-5-19(6-10-21)3-1-2-4-20-7-11-22(12-8-20)18-27-25(30)23-13-15-26-16-14-23;/h5-12,23,26,31H,1-4,13-18H2,(H,27,30)(H,28,29);1H
InChIKeyFKZUMRSAZMJGOX-UHFFFAOYSA-N
MW460.02 g/mol
LogP3.34
Rot. Bonds10

About N-[[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride

N-[[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 90046481) has the molecular formula C25H34ClN3O3 and a molecular weight of 460.02 g/mol. Its IUPAC name is N-[[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID90046481
Molecular FormulaC25H34ClN3O3
Molecular Weight460.02 g/mol
Exact Mass459.23
IUPAC NameN-[[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Cc1ccc(CCCCc2ccc(CNC(=O)C3CCNCC3)cc2)cc1)NO
InChIInChI=1S/C25H33N3O3.ClH/c29-24(28-31)17-21-9-5-19(6-10-21)3-1-2-4-20-7-11-22(12-8-20)18-27-25(30)23-13-15-26-16-14-23;/h5-12,23,26,31H,1-4,13-18H2,(H,27,30)(H,28,29);1H
InChIKeyFKZUMRSAZMJGOX-UHFFFAOYSA-N
XLogP3.34
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.02
LogP ≤ 53.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-[[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride (CID 90046481) is N-[[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride is Cl.O=C(Cc1ccc(CCCCc2ccc(CNC(=O)C3CCNCC3)cc2)cc1)NO.
What is the InChIKey of N-[[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is FKZUMRSAZMJGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3.ClH/c29-24(28-31)17-21-9-5-19(6-10-21)3-1-2-4-20-7-11-22(12-8-20)18-27-25(30)23-13-15-26-16-14-23;/h5-12,23,26,31H,1-4,13-18H2,(H,27,30)(H,28,29);1H.
What are the key properties of N-[[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
N-[[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 460.02 g/mol, XLogP of 3.34, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 90046481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).