4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide

C18H27N3O3 — CID 87747906

IUPAC4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide
SMILESCc1cccc(CNC(=O)N2CCC(CCCC(=O)NO)CC2)c1
InChIInChI=1S/C18H27N3O3/c1-14-4-2-6-16(12-14)13-19-18(23)21-10-8-15(9-11-21)5-3-7-17(22)20-24/h2,4,6,12,15,24H,3,5,7-11,13H2,1H3,(H,19,23)(H,20,22)
InChIKeyDOLIOBBMKYLHJC-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.59
Rot. Bonds6

About 4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide

4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide (PubChem CID 87747906) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide
PubChem CID87747906
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide
SMILESCc1cccc(CNC(=O)N2CCC(CCCC(=O)NO)CC2)c1
InChIInChI=1S/C18H27N3O3/c1-14-4-2-6-16(12-14)13-19-18(23)21-10-8-15(9-11-21)5-3-7-17(22)20-24/h2,4,6,12,15,24H,3,5,7-11,13H2,1H3,(H,19,23)(H,20,22)
InChIKeyDOLIOBBMKYLHJC-UHFFFAOYSA-N
XLogP2.59
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(dimethylamino)phenyl]methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 11849011
4-[4-(hydroxyamino)-4-oxobutyl]-N-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 11849005
N-(1,2-benzoxazol-3-ylmethyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 87748960
N-hydroxy-4-[1-(2-phenylacetyl)piperidin-4-yl]butanamide
CID 52918058
N-[(3-methylphenyl)methyl]-4-(2,2,2-trifluoroacetyl)-1,4-diazepane-1-carboxamide
CID 119060918
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine-1-carboxamide
CID 161004170
4-(2-methoxyacetyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 87003706
N-(2-fluoro-6-methoxyphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;N-(2-fluoro-5-methylphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 157468431
2,6-dimethyl-N-[(3-methylphenyl)methyl]morpholine-4-carboxamide
CID 108898086
N-benzyl-4-[2-(methylamino)ethyl]piperidine-1-carboxamide
CID 107654135
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110896394
N-(4-aminophenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 91356315

Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide (CID 87747906) is 4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide is Cc1cccc(CNC(=O)N2CCC(CCCC(=O)NO)CC2)c1.
What is the InChIKey of 4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is DOLIOBBMKYLHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-14-4-2-6-16(12-14)13-19-18(23)21-10-8-15(9-11-21)5-3-7-17(22)20-24/h2,4,6,12,15,24H,3,5,7-11,13H2,1H3,(H,19,23)(H,20,22).
What are the key properties of 4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide?
4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 87747906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).