2-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-(pyridin-4-ylmethoxy)benzamide

C21H26N4O4 — CID 140702146

IUPAC2-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-(pyridin-4-ylmethoxy)benzamide
SMILESNC(=O)c1ccc(OCc2ccncc2)cc1C[C@@H](C(=O)NO)N1CCCCC1
InChIInChI=1S/C21H26N4O4/c22-20(26)18-5-4-17(29-14-15-6-8-23-9-7-15)12-16(18)13-19(21(27)24-28)25-10-2-1-3-11-25/h4-9,12,19,28H,1-3,10-11,13-14H2,(H2,22,26)(H,24,27)/t19-/m0/s1
InChIKeyNLWAGLIDIBZBKX-IBGZPJMESA-N
MW398.46 g/mol
LogP1.66
Rot. Bonds8

About 2-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-(pyridin-4-ylmethoxy)benzamide

2-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-(pyridin-4-ylmethoxy)benzamide (PubChem CID 140702146) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-(pyridin-4-ylmethoxy)benzamide.

Molecular Properties

Compound Name2-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-(pyridin-4-ylmethoxy)benzamide
PubChem CID140702146
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name2-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-(pyridin-4-ylmethoxy)benzamide
SMILESNC(=O)c1ccc(OCc2ccncc2)cc1C[C@@H](C(=O)NO)N1CCCCC1
InChIInChI=1S/C21H26N4O4/c22-20(26)18-5-4-17(29-14-15-6-8-23-9-7-15)12-16(18)13-19(21(27)24-28)25-10-2-1-3-11-25/h4-9,12,19,28H,1-3,10-11,13-14H2,(H2,22,26)(H,24,27)/t19-/m0/s1
InChIKeyNLWAGLIDIBZBKX-IBGZPJMESA-N
XLogP1.66
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-[(2S)-3-(hydroxyamino)-3-oxo-2-thiomorpholin-4-ylpropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 140702150
2-[(2R)-3-(hydroxyamino)-2-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 140587277
2-[(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-3-(hydroxyamino)-3-oxopropyl]-4-[(5-methyl-1H-pyrazol-4-yl)methoxy]benzamide
CID 140587285
4-[(4-cyanophenyl)methoxy]-N-[3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]benzamide
CID 75602043
N-hydroxy-3-[[4-(naphthalen-2-ylmethoxy)phenyl]sulfonylamino]-2-piperidin-1-ylpropanamide
CID 75306105
methyl 3-[[4-[(2-bromo-4-pyridinyl)methoxy]benzoyl]amino]-2-piperidin-1-ylpropanoate
CID 88876311
2-[(2S)-2-(diethylamino)-3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 140702154
4-(pyridin-4-ylmethoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 36996936
2-(azepan-1-yl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide
CID 75306206
N-[2-(azocan-1-yl)-3-(hydroxyamino)-3-oxopropyl]-4-[(5-methyl-1H-pyrazol-4-yl)methoxy]benzamide
CID 75602172
3-amino-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide
CID 67730824
2-piperidin-1-yl-4-(pyridin-4-ylmethylamino)benzamide
CID 122131807

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-(pyridin-4-ylmethoxy)benzamide?
The IUPAC name of 2-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-(pyridin-4-ylmethoxy)benzamide (CID 140702146) is 2-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-(pyridin-4-ylmethoxy)benzamide.
What is the SMILES notation for 2-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-(pyridin-4-ylmethoxy)benzamide?
The canonical SMILES for 2-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-(pyridin-4-ylmethoxy)benzamide is NC(=O)c1ccc(OCc2ccncc2)cc1C[C@@H](C(=O)NO)N1CCCCC1.
What is the InChIKey of 2-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-(pyridin-4-ylmethoxy)benzamide?
The InChIKey is NLWAGLIDIBZBKX-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N4O4/c22-20(26)18-5-4-17(29-14-15-6-8-23-9-7-15)12-16(18)13-19(21(27)24-28)25-10-2-1-3-11-25/h4-9,12,19,28H,1-3,10-11,13-14H2,(H2,22,26)(H,24,27)/t19-/m0/s1.
What are the key properties of 2-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-(pyridin-4-ylmethoxy)benzamide?
2-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-(pyridin-4-ylmethoxy)benzamide has a molecular weight of 398.46 g/mol, XLogP of 1.66, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-(pyridin-4-ylmethoxy)benzamide is sourced from PubChem (CID 140702146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).