N-(2-hydroxyphenyl)-1-[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidine-4-carboxamide

C24H26N4O4 — CID 34722221

IUPACN-(2-hydroxyphenyl)-1-[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidine-4-carboxamide
SMILESCc1cc(NC(=O)[C@H](c2ccccc2)N2CCC(C(=O)Nc3ccccc3O)CC2)no1
InChIInChI=1S/C24H26N4O4/c1-16-15-21(27-32-16)26-24(31)22(17-7-3-2-4-8-17)28-13-11-18(12-14-28)23(30)25-19-9-5-6-10-20(19)29/h2-10,15,18,22,29H,11-14H2,1H3,(H,25,30)(H,26,27,31)/t22-/m0/s1
InChIKeyBWIYKHDPKCWYDV-QFIPXVFZSA-N
MW434.50 g/mol
LogP3.72
Rot. Bonds6

About N-(2-hydroxyphenyl)-1-[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidine-4-carboxamide

N-(2-hydroxyphenyl)-1-[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidine-4-carboxamide (PubChem CID 34722221) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-1-[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-1-[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidine-4-carboxamide
PubChem CID34722221
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-(2-hydroxyphenyl)-1-[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidine-4-carboxamide
SMILESCc1cc(NC(=O)[C@H](c2ccccc2)N2CCC(C(=O)Nc3ccccc3O)CC2)no1
InChIInChI=1S/C24H26N4O4/c1-16-15-21(27-32-16)26-24(31)22(17-7-3-2-4-8-17)28-13-11-18(12-14-28)23(30)25-19-9-5-6-10-20(19)29/h2-10,15,18,22,29H,11-14H2,1H3,(H,25,30)(H,26,27,31)/t22-/m0/s1
InChIKeyBWIYKHDPKCWYDV-QFIPXVFZSA-N
XLogP3.72
TPSA107.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 94566097
1-[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 41112937
N-(2-hydroxyphenyl)-1-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide
CID 32741538
(2S)-2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 34680281
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 166218963
N-(2-hydroxyphenyl)-1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 41099612
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(4-propylpiperazin-1-yl)acetamide
CID 30956561
4-fluoro-N-[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidin-4-yl]benzamide
CID 46595293
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-phenylacetamide
CID 166276398
N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[4-(2-phenylacetyl)piperazin-1-yl]acetamide
CID 166184100
N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 17438264
N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide
CID 166180673

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-1-[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-1-[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidine-4-carboxamide (CID 34722221) is N-(2-hydroxyphenyl)-1-[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-1-[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-1-[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidine-4-carboxamide is Cc1cc(NC(=O)[C@H](c2ccccc2)N2CCC(C(=O)Nc3ccccc3O)CC2)no1.
What is the InChIKey of N-(2-hydroxyphenyl)-1-[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidine-4-carboxamide?
The InChIKey is BWIYKHDPKCWYDV-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-16-15-21(27-32-16)26-24(31)22(17-7-3-2-4-8-17)28-13-11-18(12-14-28)23(30)25-19-9-5-6-10-20(19)29/h2-10,15,18,22,29H,11-14H2,1H3,(H,25,30)(H,26,27,31)/t22-/m0/s1.
What are the key properties of N-(2-hydroxyphenyl)-1-[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidine-4-carboxamide?
N-(2-hydroxyphenyl)-1-[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidine-4-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-1-[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 34722221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).