2-amino-4-[4-[4-(hydroxyamino)-4-oxobutyl]piperidin-1-yl]-N-(naphthalen-1-ylmethyl)-4-oxobutanamide

C24H32N4O4 — CID 73125115

IUPAC2-amino-4-[4-[4-(hydroxyamino)-4-oxobutyl]piperidin-1-yl]-N-(naphthalen-1-ylmethyl)-4-oxobutanamide
SMILESNC(CC(=O)N1CCC(CCCC(=O)NO)CC1)C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C24H32N4O4/c25-21(24(31)26-16-19-8-4-7-18-6-1-2-9-20(18)19)15-23(30)28-13-11-17(12-14-28)5-3-10-22(29)27-32/h1-2,4,6-9,17,21,32H,3,5,10-16,25H2,(H,26,31)(H,27,29)
InChIKeyMLDFZOUNIOWWCC-UHFFFAOYSA-N
MW440.54 g/mol
LogP2.09
Rot. Bonds9

About 2-amino-4-[4-[4-(hydroxyamino)-4-oxobutyl]piperidin-1-yl]-N-(naphthalen-1-ylmethyl)-4-oxobutanamide

2-amino-4-[4-[4-(hydroxyamino)-4-oxobutyl]piperidin-1-yl]-N-(naphthalen-1-ylmethyl)-4-oxobutanamide (PubChem CID 73125115) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 2-amino-4-[4-[4-(hydroxyamino)-4-oxobutyl]piperidin-1-yl]-N-(naphthalen-1-ylmethyl)-4-oxobutanamide.

Molecular Properties

Compound Name2-amino-4-[4-[4-(hydroxyamino)-4-oxobutyl]piperidin-1-yl]-N-(naphthalen-1-ylmethyl)-4-oxobutanamide
PubChem CID73125115
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name2-amino-4-[4-[4-(hydroxyamino)-4-oxobutyl]piperidin-1-yl]-N-(naphthalen-1-ylmethyl)-4-oxobutanamide
SMILESNC(CC(=O)N1CCC(CCCC(=O)NO)CC1)C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C24H32N4O4/c25-21(24(31)26-16-19-8-4-7-18-6-1-2-9-20(18)19)15-23(30)28-13-11-17(12-14-28)5-3-10-22(29)27-32/h1-2,4,6-9,17,21,32H,3,5,10-16,25H2,(H,26,31)(H,27,29)
InChIKeyMLDFZOUNIOWWCC-UHFFFAOYSA-N
XLogP2.09
TPSA124.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-4-[4-[4-(hydroxyamino)-4-oxobutyl]piperidin-1-yl]-N-(naphthalen-1-ylmethyl)-4-oxobutanamide with MolForge

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Related Compounds

4-[1-[(3S)-3-amino-5-phenylpentanoyl]piperidin-4-yl]-N-hydroxybutanamide
CID 87749504
4-[1-[(3R)-3-amino-5-phenylpentanoyl]piperidin-4-yl]-N-hydroxybutanamide
CID 87749494
N-hydroxy-4-[1-(2-phenylacetyl)piperidin-4-yl]butanamide
CID 52918058
4-[1-[3-amino-3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide
CID 87749330
4-[1-[(3S)-3-amino-3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide
CID 87749331
4-[4-(hydroxyamino)-4-oxobutyl]-N-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 11849005
N-[2-[4-[4-(hydroxyamino)-4-oxobutyl]piperidin-1-yl]-2-oxoethyl]-1-benzothiophene-2-carboxamide;naphthalene-1-carboxylic acid
CID 159529511
4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide
CID 87747906
2-amino-4-methyl-N-(naphthalen-1-ylmethyl)pentanamide
CID 62368287
4-[1-[2-amino-3-(3-chlorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide
CID 87748465
N-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 119519046
N-(1,2-benzoxazol-3-ylmethyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 87748960

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-[4-(hydroxyamino)-4-oxobutyl]piperidin-1-yl]-N-(naphthalen-1-ylmethyl)-4-oxobutanamide?
The IUPAC name of 2-amino-4-[4-[4-(hydroxyamino)-4-oxobutyl]piperidin-1-yl]-N-(naphthalen-1-ylmethyl)-4-oxobutanamide (CID 73125115) is 2-amino-4-[4-[4-(hydroxyamino)-4-oxobutyl]piperidin-1-yl]-N-(naphthalen-1-ylmethyl)-4-oxobutanamide.
What is the SMILES notation for 2-amino-4-[4-[4-(hydroxyamino)-4-oxobutyl]piperidin-1-yl]-N-(naphthalen-1-ylmethyl)-4-oxobutanamide?
The canonical SMILES for 2-amino-4-[4-[4-(hydroxyamino)-4-oxobutyl]piperidin-1-yl]-N-(naphthalen-1-ylmethyl)-4-oxobutanamide is NC(CC(=O)N1CCC(CCCC(=O)NO)CC1)C(=O)NCc1cccc2ccccc12.
What is the InChIKey of 2-amino-4-[4-[4-(hydroxyamino)-4-oxobutyl]piperidin-1-yl]-N-(naphthalen-1-ylmethyl)-4-oxobutanamide?
The InChIKey is MLDFZOUNIOWWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c25-21(24(31)26-16-19-8-4-7-18-6-1-2-9-20(18)19)15-23(30)28-13-11-17(12-14-28)5-3-10-22(29)27-32/h1-2,4,6-9,17,21,32H,3,5,10-16,25H2,(H,26,31)(H,27,29).
What are the key properties of 2-amino-4-[4-[4-(hydroxyamino)-4-oxobutyl]piperidin-1-yl]-N-(naphthalen-1-ylmethyl)-4-oxobutanamide?
2-amino-4-[4-[4-(hydroxyamino)-4-oxobutyl]piperidin-1-yl]-N-(naphthalen-1-ylmethyl)-4-oxobutanamide has a molecular weight of 440.54 g/mol, XLogP of 2.09, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-[4-(hydroxyamino)-4-oxobutyl]piperidin-1-yl]-N-(naphthalen-1-ylmethyl)-4-oxobutanamide is sourced from PubChem (CID 73125115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).