4-[4-(hydroxyamino)-4-oxobutyl]-N-(4-pyridin-2-ylphenyl)piperidine-1-carboxamide

C21H26N4O3 — CID 91320954

IUPAC4-[4-(hydroxyamino)-4-oxobutyl]-N-(4-pyridin-2-ylphenyl)piperidine-1-carboxamide
SMILESO=C(CCCC1CCN(C(=O)Nc2ccc(-c3ccccn3)cc2)CC1)NO
InChIInChI=1S/C21H26N4O3/c26-20(24-28)6-3-4-16-11-14-25(15-12-16)21(27)23-18-9-7-17(8-10-18)19-5-1-2-13-22-19/h1-2,5,7-10,13,16,28H,3-4,6,11-12,14-15H2,(H,23,27)(H,24,26)
InChIKeyXORYRJFFJPOZHR-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.67
Rot. Bonds6

About 4-[4-(hydroxyamino)-4-oxobutyl]-N-(4-pyridin-2-ylphenyl)piperidine-1-carboxamide

4-[4-(hydroxyamino)-4-oxobutyl]-N-(4-pyridin-2-ylphenyl)piperidine-1-carboxamide (PubChem CID 91320954) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-[4-(hydroxyamino)-4-oxobutyl]-N-(4-pyridin-2-ylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(hydroxyamino)-4-oxobutyl]-N-(4-pyridin-2-ylphenyl)piperidine-1-carboxamide
PubChem CID91320954
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name4-[4-(hydroxyamino)-4-oxobutyl]-N-(4-pyridin-2-ylphenyl)piperidine-1-carboxamide
SMILESO=C(CCCC1CCN(C(=O)Nc2ccc(-c3ccccn3)cc2)CC1)NO
InChIInChI=1S/C21H26N4O3/c26-20(24-28)6-3-4-16-11-14-25(15-12-16)21(27)23-18-9-7-17(8-10-18)19-5-1-2-13-22-19/h1-2,5,7-10,13,16,28H,3-4,6,11-12,14-15H2,(H,23,27)(H,24,26)
InChIKeyXORYRJFFJPOZHR-UHFFFAOYSA-N
XLogP3.67
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.67
H-Bond Donors ≤ 53
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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Related Compounds

N-(4-aminophenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 91356315
4-[4-(hydroxyamino)-4-oxobutyl]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 11849007
N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 142691662
N-[4-[2-(diethylamino)ethyl]phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 11848263
N-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 91222749
N-hydroxy-4-[1-(2-phenylacetyl)piperidin-4-yl]butanamide
CID 52918058
4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 111486727
N-[2-[1-[(4-fluorophenyl)carbamoyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 91913215
N-(1,2-benzoxazol-3-ylmethyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 87748960
4-[4-(hydroxyamino)-4-oxobutyl]-N-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 11849005
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-yl)piperidine-1-carboxamide
CID 141152827

Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxyamino)-4-oxobutyl]-N-(4-pyridin-2-ylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[4-(hydroxyamino)-4-oxobutyl]-N-(4-pyridin-2-ylphenyl)piperidine-1-carboxamide (CID 91320954) is 4-[4-(hydroxyamino)-4-oxobutyl]-N-(4-pyridin-2-ylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(hydroxyamino)-4-oxobutyl]-N-(4-pyridin-2-ylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[4-(hydroxyamino)-4-oxobutyl]-N-(4-pyridin-2-ylphenyl)piperidine-1-carboxamide is O=C(CCCC1CCN(C(=O)Nc2ccc(-c3ccccn3)cc2)CC1)NO.
What is the InChIKey of 4-[4-(hydroxyamino)-4-oxobutyl]-N-(4-pyridin-2-ylphenyl)piperidine-1-carboxamide?
The InChIKey is XORYRJFFJPOZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c26-20(24-28)6-3-4-16-11-14-25(15-12-16)21(27)23-18-9-7-17(8-10-18)19-5-1-2-13-22-19/h1-2,5,7-10,13,16,28H,3-4,6,11-12,14-15H2,(H,23,27)(H,24,26).
What are the key properties of 4-[4-(hydroxyamino)-4-oxobutyl]-N-(4-pyridin-2-ylphenyl)piperidine-1-carboxamide?
4-[4-(hydroxyamino)-4-oxobutyl]-N-(4-pyridin-2-ylphenyl)piperidine-1-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxyamino)-4-oxobutyl]-N-(4-pyridin-2-ylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 91320954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).