1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid

C17H24N2O4 — CID 119908046

IUPAC1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
SMILESCOc1ccc(C)cc1NC(=O)C(C)N1CCC(C(=O)O)CC1
InChIInChI=1S/C17H24N2O4/c1-11-4-5-15(23-3)14(10-11)18-16(20)12(2)19-8-6-13(7-9-19)17(21)22/h4-5,10,12-13H,6-9H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyQPVYDAKFXSLQHV-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.13
Rot. Bonds5

About 1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid

1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid (PubChem CID 119908046) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
PubChem CID119908046
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
SMILESCOc1ccc(C)cc1NC(=O)C(C)N1CCC(C(=O)O)CC1
InChIInChI=1S/C17H24N2O4/c1-11-4-5-15(23-3)14(10-11)18-16(20)12(2)19-8-6-13(7-9-19)17(21)22/h4-5,10,12-13H,6-9H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyQPVYDAKFXSLQHV-UHFFFAOYSA-N
XLogP2.13
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 119904868
(2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274960
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 110019793
N-(2-methoxy-5-methylphenyl)-2-morpholin-4-ylpropanamide;hydrochloride
CID 2942225
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 9432648
2-(4-benzoylpiperidin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide
CID 16605888
ethyl 1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 46631086
1-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55921796
(2R)-N-(2-methoxy-5-methylphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide
CID 30724673
(3S,4S)-1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 120954047
(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446137
N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17447434

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid (CID 119908046) is 1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid is COc1ccc(C)cc1NC(=O)C(C)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
The InChIKey is QPVYDAKFXSLQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-11-4-5-15(23-3)14(10-11)18-16(20)12(2)19-8-6-13(7-9-19)17(21)22/h4-5,10,12-13H,6-9H2,1-3H3,(H,18,20)(H,21,22).
What are the key properties of 1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119908046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).