4-[(4-cyanophenyl)methoxy]-N-[3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]benzamide

C23H26N4O4 — CID 75602043

IUPAC4-[(4-cyanophenyl)methoxy]-N-[3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]benzamide
SMILESN#Cc1ccc(COc2ccc(C(=O)NCC(C(=O)NO)N3CCCCC3)cc2)cc1
InChIInChI=1S/C23H26N4O4/c24-14-17-4-6-18(7-5-17)16-31-20-10-8-19(9-11-20)22(28)25-15-21(23(29)26-30)27-12-2-1-3-13-27/h4-11,21,30H,1-3,12-13,15-16H2,(H,25,28)(H,26,29)
InChIKeyDHYWMLCJCBRPHM-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.23
Rot. Bonds8

About 4-[(4-cyanophenyl)methoxy]-N-[3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]benzamide

4-[(4-cyanophenyl)methoxy]-N-[3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]benzamide (PubChem CID 75602043) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 4-[(4-cyanophenyl)methoxy]-N-[3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]benzamide.

Molecular Properties

Compound Name4-[(4-cyanophenyl)methoxy]-N-[3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]benzamide
PubChem CID75602043
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name4-[(4-cyanophenyl)methoxy]-N-[3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]benzamide
SMILESN#Cc1ccc(COc2ccc(C(=O)NCC(C(=O)NO)N3CCCCC3)cc2)cc1
InChIInChI=1S/C23H26N4O4/c24-14-17-4-6-18(7-5-17)16-31-20-10-8-19(9-11-20)22(28)25-15-21(23(29)26-30)27-12-2-1-3-13-27/h4-11,21,30H,1-3,12-13,15-16H2,(H,25,28)(H,26,29)
InChIKeyDHYWMLCJCBRPHM-UHFFFAOYSA-N
XLogP2.23
TPSA114.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.23
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

3-[[4-[(4-cyanophenyl)methoxy]benzoyl]amino]-2-piperidin-1-ylpropanoic acid
CID 67056388
4-but-2-ynoxy-N-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]benzamide
CID 50990949
N-[2-(azocan-1-yl)-3-(hydroxyamino)-3-oxopropyl]-4-[(5-methyl-1H-pyrazol-4-yl)methoxy]benzamide
CID 75602172
N-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzamide
CID 51034645
4-cyano-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47026894
methyl 3-[[4-[(2-bromo-4-pyridinyl)methoxy]benzoyl]amino]-2-piperidin-1-ylpropanoate
CID 88876311
(2S)-3-[(4-but-2-ynoxybenzoyl)amino]-2-piperidin-1-ylpropanoic acid
CID 67056339
methyl 3-[(4-but-2-ynoxybenzoyl)amino]-2-piperidin-1-ylpropanoate
CID 123687132
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenylmethoxybenzamide
CID 4841525
N-hydroxy-3-[[4-(naphthalen-2-ylmethoxy)phenyl]sulfonylamino]-2-piperidin-1-ylpropanamide
CID 75306105
N-[2-(4-benzoylpiperazin-1-yl)-3-(hydroxyamino)-3-oxopropyl]-4-(piperidin-4-ylmethoxy)benzamide
CID 75600381
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(phenoxymethyl)benzamide
CID 8001911

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyanophenyl)methoxy]-N-[3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]benzamide?
The IUPAC name of 4-[(4-cyanophenyl)methoxy]-N-[3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]benzamide (CID 75602043) is 4-[(4-cyanophenyl)methoxy]-N-[3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]benzamide.
What is the SMILES notation for 4-[(4-cyanophenyl)methoxy]-N-[3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]benzamide?
The canonical SMILES for 4-[(4-cyanophenyl)methoxy]-N-[3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]benzamide is N#Cc1ccc(COc2ccc(C(=O)NCC(C(=O)NO)N3CCCCC3)cc2)cc1.
What is the InChIKey of 4-[(4-cyanophenyl)methoxy]-N-[3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]benzamide?
The InChIKey is DHYWMLCJCBRPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c24-14-17-4-6-18(7-5-17)16-31-20-10-8-19(9-11-20)22(28)25-15-21(23(29)26-30)27-12-2-1-3-13-27/h4-11,21,30H,1-3,12-13,15-16H2,(H,25,28)(H,26,29).
What are the key properties of 4-[(4-cyanophenyl)methoxy]-N-[3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]benzamide?
4-[(4-cyanophenyl)methoxy]-N-[3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]benzamide has a molecular weight of 422.49 g/mol, XLogP of 2.23, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyanophenyl)methoxy]-N-[3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]benzamide is sourced from PubChem (CID 75602043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).