(3R)-3-hydroxy-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide

C17H24N2O4 — CID 129486064

IUPAC(3R)-3-hydroxy-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide
SMILESCOc1ccc(C(C)(C)C(=O)N2CCC[C@](O)(C(N)=O)C2)cc1
InChIInChI=1S/C17H24N2O4/c1-16(2,12-5-7-13(23-3)8-6-12)15(21)19-10-4-9-17(22,11-19)14(18)20/h5-8,22H,4,9-11H2,1-3H3,(H2,18,20)/t17-/m1/s1
InChIKeyQRRNOVXROFHASQ-QGZVFWFLSA-N
MW320.39 g/mol
LogP0.81
Rot. Bonds4

About (3R)-3-hydroxy-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide

(3R)-3-hydroxy-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide (PubChem CID 129486064) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide
PubChem CID129486064
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name(3R)-3-hydroxy-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide
SMILESCOc1ccc(C(C)(C)C(=O)N2CCC[C@](O)(C(N)=O)C2)cc1
InChIInChI=1S/C17H24N2O4/c1-16(2,12-5-7-13(23-3)8-6-12)15(21)19-10-4-9-17(22,11-19)14(18)20/h5-8,22H,4,9-11H2,1-3H3,(H2,18,20)/t17-/m1/s1
InChIKeyQRRNOVXROFHASQ-QGZVFWFLSA-N
XLogP0.81
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-methoxyphenyl)-2-methylpropan-1-one
CID 82038036
(3R)-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124685750
1-(1,4-diazepan-1-yl)-2-(4-methoxyphenyl)-2-methylpropan-1-one
CID 94699665
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methyl-2-(4-methylphenyl)propan-1-one
CID 113198091
1-[2-(4-ethoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 128964748
2-(4-methoxyphenyl)-2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propan-1-one
CID 75383198
(3S)-1-(4-chloro-2-methoxybenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 129485552
2-(4-methoxyphenyl)-2-methyl-1-(5-methyl-1,4-diazepan-1-yl)propan-1-one
CID 82250793
1-acetyl-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 167815427
3-hydroxy-1-(1-methylcyclopropanecarbonyl)piperidine-3-carboxamide
CID 136541656
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(3,4-dimethoxyphenyl)-2-methylpropan-1-one
CID 120809711
4-hydroxy-1-(4-methoxyphenyl)azepane-4-carboxylic acid
CID 115055659

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-3-hydroxy-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide (CID 129486064) is (3R)-3-hydroxy-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-3-hydroxy-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-3-hydroxy-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide is COc1ccc(C(C)(C)C(=O)N2CCC[C@](O)(C(N)=O)C2)cc1.
What is the InChIKey of (3R)-3-hydroxy-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide?
The InChIKey is QRRNOVXROFHASQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-16(2,12-5-7-13(23-3)8-6-12)15(21)19-10-4-9-17(22,11-19)14(18)20/h5-8,22H,4,9-11H2,1-3H3,(H2,18,20)/t17-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide?
(3R)-3-hydroxy-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 129486064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).