N-(1,2-benzoxazol-3-ylmethyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide

C18H24N4O4 — CID 87748960

IUPACN-(1,2-benzoxazol-3-ylmethyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
SMILESO=C(CCCC1CCN(C(=O)NCc2noc3ccccc23)CC1)NO
InChIInChI=1S/C18H24N4O4/c23-17(20-25)7-3-4-13-8-10-22(11-9-13)18(24)19-12-15-14-5-1-2-6-16(14)26-21-15/h1-2,5-6,13,25H,3-4,7-12H2,(H,19,24)(H,20,23)
InChIKeyJUHYRUCETBWRES-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.43
Rot. Bonds6

About N-(1,2-benzoxazol-3-ylmethyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide

N-(1,2-benzoxazol-3-ylmethyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide (PubChem CID 87748960) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-(1,2-benzoxazol-3-ylmethyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,2-benzoxazol-3-ylmethyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
PubChem CID87748960
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC NameN-(1,2-benzoxazol-3-ylmethyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
SMILESO=C(CCCC1CCN(C(=O)NCc2noc3ccccc23)CC1)NO
InChIInChI=1S/C18H24N4O4/c23-17(20-25)7-3-4-13-8-10-22(11-9-13)18(24)19-12-15-14-5-1-2-6-16(14)26-21-15/h1-2,5-6,13,25H,3-4,7-12H2,(H,19,24)(H,20,23)
InChIKeyJUHYRUCETBWRES-UHFFFAOYSA-N
XLogP2.43
TPSA107.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.43
H-Bond Donors ≤ 53
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'}

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Related Compounds

N-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-1-carboxamide
CID 46274751
1-N-(1,2-benzoxazol-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 50757562
N-(1,2-benzoxazol-3-ylmethyl)-3-phenylpyrrolidine-1-carboxamide
CID 20901384
N-(1,2-benzoxazol-3-ylmethyl)-4-(cyclopropanecarbonylamino)piperidine-1-carboxamide
CID 138004733
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-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide
CID 87747906
4-[4-(hydroxyamino)-4-oxobutyl]-N-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 11849005
N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 11849011
N-hydroxy-4-[1-(2-phenylacetyl)piperidin-4-yl]butanamide
CID 52918058
4-[4-(hydroxyamino)-4-oxobutyl]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 11849007
2-(1,2-benzoxazol-3-yl)-1-[4-(chloromethyl)piperidin-1-yl]ethanone
CID 63397987
1-(1,2-benzoxazol-3-ylmethyl)-3-(2-cyclopropyl-2-hydroxypropyl)urea
CID 138004737

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzoxazol-3-ylmethyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
The IUPAC name of N-(1,2-benzoxazol-3-ylmethyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide (CID 87748960) is N-(1,2-benzoxazol-3-ylmethyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(1,2-benzoxazol-3-ylmethyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
The canonical SMILES for N-(1,2-benzoxazol-3-ylmethyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide is O=C(CCCC1CCN(C(=O)NCc2noc3ccccc23)CC1)NO.
What is the InChIKey of N-(1,2-benzoxazol-3-ylmethyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
The InChIKey is JUHYRUCETBWRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c23-17(20-25)7-3-4-13-8-10-22(11-9-13)18(24)19-12-15-14-5-1-2-6-16(14)26-21-15/h1-2,5-6,13,25H,3-4,7-12H2,(H,19,24)(H,20,23).
What are the key properties of N-(1,2-benzoxazol-3-ylmethyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
N-(1,2-benzoxazol-3-ylmethyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzoxazol-3-ylmethyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide is sourced from PubChem (CID 87748960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).