N-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzamide

C24H26F3N5O4 — CID 51034645

IUPACN-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzamide
SMILESO=C(NC[C@@H](C(=O)NO)N1CCCCC1)c1ccc(OCc2c(C(F)(F)F)nn3ccccc23)cc1
InChIInChI=1S/C24H26F3N5O4/c25-24(26,27)21-18(19-6-2-5-13-32(19)29-21)15-36-17-9-7-16(8-10-17)22(33)28-14-20(23(34)30-35)31-11-3-1-4-12-31/h2,5-10,13,20,35H,1,3-4,11-12,14-15H2,(H,28,33)(H,30,34)/t20-/m0/s1
InChIKeyMBZHGJPHJCQQMB-FQEVSTJZSA-N
MW505.50 g/mol
LogP3.02
Rot. Bonds8

About N-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzamide

N-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzamide (PubChem CID 51034645) has the molecular formula C24H26F3N5O4 and a molecular weight of 505.50 g/mol. Its IUPAC name is N-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzamide
PubChem CID51034645
Molecular FormulaC24H26F3N5O4
Molecular Weight505.50 g/mol
Exact Mass505.19
IUPAC NameN-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzamide
SMILESO=C(NC[C@@H](C(=O)NO)N1CCCCC1)c1ccc(OCc2c(C(F)(F)F)nn3ccccc23)cc1
InChIInChI=1S/C24H26F3N5O4/c25-24(26,27)21-18(19-6-2-5-13-32(19)29-21)15-36-17-9-7-16(8-10-17)22(33)28-14-20(23(34)30-35)31-11-3-1-4-12-31/h2,5-10,13,20,35H,1,3-4,11-12,14-15H2,(H,28,33)(H,30,34)/t20-/m0/s1
InChIKeyMBZHGJPHJCQQMB-FQEVSTJZSA-N
XLogP3.02
TPSA108.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.50
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[2-(4-benzylpiperazin-1-yl)-3-(hydroxyamino)-3-oxopropyl]-4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzamide
CID 75600335
methyl (2S)-2-(4-benzylpiperazin-1-yl)-3-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzoyl]amino]propanoate
CID 86667917
4-[(4-cyanophenyl)methoxy]-N-[3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]benzamide
CID 75602043
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-(4-propylsulfonylpiperazin-1-yl)propyl]-4-[(2-methyl-1H-indol-3-yl)methoxy]benzamide
CID 88584775
N-[2-(4-benzylpiperazin-1-yl)-3-(hydroxyamino)-3-oxopropyl]-4-[(2-propan-2-yl-1-benzofuran-3-yl)methoxy]benzamide
CID 75600398
N-[(2S)-3-(hydroxyamino)-2-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 51030462
3-[[4-[(4-cyanophenyl)methoxy]benzoyl]amino]-2-piperidin-1-ylpropanoic acid
CID 67056388
N-hydroxy-3-[[4-[(2-methyl-1H-indol-3-yl)methoxy]phenyl]sulfonylamino]-2-piperidin-1-ylpropanamide
CID 75306296
(2S)-3-[(4-but-2-ynoxybenzoyl)amino]-2-piperidin-1-ylpropanoic acid
CID 67056339
methyl 3-[[4-[(2-bromo-4-pyridinyl)methoxy]benzoyl]amino]-2-piperidin-1-ylpropanoate
CID 88876311

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzamide?
The IUPAC name of N-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzamide (CID 51034645) is N-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzamide.
What is the SMILES notation for N-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzamide?
The canonical SMILES for N-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzamide is O=C(NC[C@@H](C(=O)NO)N1CCCCC1)c1ccc(OCc2c(C(F)(F)F)nn3ccccc23)cc1.
What is the InChIKey of N-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzamide?
The InChIKey is MBZHGJPHJCQQMB-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H26F3N5O4/c25-24(26,27)21-18(19-6-2-5-13-32(19)29-21)15-36-17-9-7-16(8-10-17)22(33)28-14-20(23(34)30-35)31-11-3-1-4-12-31/h2,5-10,13,20,35H,1,3-4,11-12,14-15H2,(H,28,33)(H,30,34)/t20-/m0/s1.
What are the key properties of N-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzamide?
N-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzamide has a molecular weight of 505.50 g/mol, XLogP of 3.02, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzamide is sourced from PubChem (CID 51034645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).