N-(2-hydroxyphenyl)-1-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide

C22H30N4O4 — CID 32741538

IUPACN-(2-hydroxyphenyl)-1-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide
SMILESCCCC[C@H](C(=O)Nc1cc(C)on1)N1CCC(C(=O)Nc2ccccc2O)CC1
InChIInChI=1S/C22H30N4O4/c1-3-4-8-18(22(29)24-20-14-15(2)30-25-20)26-12-10-16(11-13-26)21(28)23-17-7-5-6-9-19(17)27/h5-7,9,14,16,18,27H,3-4,8,10-13H2,1-2H3,(H,23,28)(H,24,25,29)/t18-/m1/s1
InChIKeyRDUQYTFKINYOAU-GOSISDBHSA-N
MW414.51 g/mol
LogP3.54
Rot. Bonds8

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

N-(2-hydroxyphenyl)-1-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide (PubChem CID 32741538) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-1-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-1-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide
PubChem CID32741538
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC NameN-(2-hydroxyphenyl)-1-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide
SMILESCCCC[C@H](C(=O)Nc1cc(C)on1)N1CCC(C(=O)Nc2ccccc2O)CC1
InChIInChI=1S/C22H30N4O4/c1-3-4-8-18(22(29)24-20-14-15(2)30-25-20)26-12-10-16(11-13-26)21(28)23-17-7-5-6-9-19(17)27/h5-7,9,14,16,18,27H,3-4,8,10-13H2,1-2H3,(H,23,28)(H,24,25,29)/t18-/m1/s1
InChIKeyRDUQYTFKINYOAU-GOSISDBHSA-N
XLogP3.54
TPSA107.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

1-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide
CID 32687753
N-(2-hydroxyphenyl)-1-[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 34722221
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 111543682
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanamide
CID 47019529
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanamide
CID 32688103
1-N-(2-ethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
CID 109150775
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]hexanamide
CID 86773310
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexanamide
CID 55529585
2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 47060155
1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 94566097
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557
N-(2-hydroxyphenyl)-1-(1-pyrimidin-2-ylethyl)piperidine-4-carboxamide
CID 126839220

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-1-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-1-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide (CID 32741538) is N-(2-hydroxyphenyl)-1-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-1-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-1-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide is CCCC[C@H](C(=O)Nc1cc(C)on1)N1CCC(C(=O)Nc2ccccc2O)CC1.
What is the InChIKey of N-(2-hydroxyphenyl)-1-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide?
The InChIKey is RDUQYTFKINYOAU-GOSISDBHSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-3-4-8-18(22(29)24-20-14-15(2)30-25-20)26-12-10-16(11-13-26)21(28)23-17-7-5-6-9-19(17)27/h5-7,9,14,16,18,27H,3-4,8,10-13H2,1-2H3,(H,23,28)(H,24,25,29)/t18-/m1/s1.
What are the key properties of N-(2-hydroxyphenyl)-1-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide?
N-(2-hydroxyphenyl)-1-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 3.54, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-1-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 32741538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).