N-[4-[2-(diethylamino)ethyl]phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide

C22H36N4O3 — CID 11848263

IUPACN-[4-[2-(diethylamino)ethyl]phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
SMILESCCN(CC)CCc1ccc(NC(=O)N2CCC(CCCC(=O)NO)CC2)cc1
InChIInChI=1S/C22H36N4O3/c1-3-25(4-2)15-12-19-8-10-20(11-9-19)23-22(28)26-16-13-18(14-17-26)6-5-7-21(27)24-29/h8-11,18,29H,3-7,12-17H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyHOOGCQJOBBFYEN-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.49
Rot. Bonds10

About N-[4-[2-(diethylamino)ethyl]phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide

N-[4-[2-(diethylamino)ethyl]phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide (PubChem CID 11848263) has the molecular formula C22H36N4O3 and a molecular weight of 404.56 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)ethyl]phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)ethyl]phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
PubChem CID11848263
Molecular FormulaC22H36N4O3
Molecular Weight404.56 g/mol
Exact Mass404.28
IUPAC NameN-[4-[2-(diethylamino)ethyl]phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
SMILESCCN(CC)CCc1ccc(NC(=O)N2CCC(CCCC(=O)NO)CC2)cc1
InChIInChI=1S/C22H36N4O3/c1-3-25(4-2)15-12-19-8-10-20(11-9-19)23-22(28)26-16-13-18(14-17-26)6-5-7-21(27)24-29/h8-11,18,29H,3-7,12-17H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyHOOGCQJOBBFYEN-UHFFFAOYSA-N
XLogP3.49
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.49
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-(4-pyridin-2-ylphenyl)piperidine-1-carboxamide
CID 91320954
N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 142691662
N-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 91222749
4-[4-(hydroxyamino)-4-oxobutyl]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 11849007
N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 11849011
4-[[[4-[3-(diethylamino)propyl]piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020849
ethyl 4-[[4-[2-(diethylamino)ethyl]phenyl]carbamoylamino]piperidine-1-carboxylate
CID 119049002
N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide
CID 115581766
N-(4-butylphenyl)-4-(3-cyclopropylpropanoyl)-1,4-diazepane-1-carboxamide
CID 24948113
4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide
CID 87747906
N-hydroxy-4-[1-(2-phenylacetyl)piperidin-4-yl]butanamide
CID 52918058

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)ethyl]phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
The IUPAC name of N-[4-[2-(diethylamino)ethyl]phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide (CID 11848263) is N-[4-[2-(diethylamino)ethyl]phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[4-[2-(diethylamino)ethyl]phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
The canonical SMILES for N-[4-[2-(diethylamino)ethyl]phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide is CCN(CC)CCc1ccc(NC(=O)N2CCC(CCCC(=O)NO)CC2)cc1.
What is the InChIKey of N-[4-[2-(diethylamino)ethyl]phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
The InChIKey is HOOGCQJOBBFYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O3/c1-3-25(4-2)15-12-19-8-10-20(11-9-19)23-22(28)26-16-13-18(14-17-26)6-5-7-21(27)24-29/h8-11,18,29H,3-7,12-17H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of N-[4-[2-(diethylamino)ethyl]phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
N-[4-[2-(diethylamino)ethyl]phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide has a molecular weight of 404.56 g/mol, XLogP of 3.49, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)ethyl]phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide is sourced from PubChem (CID 11848263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).