1-(2,5-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid

C16H21NO5 — CID 122119203

IUPAC1-(2,5-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
SMILESCOc1ccc(OC)c(C(=O)N2CC(C)CC(C(=O)O)C2)c1
InChIInChI=1S/C16H21NO5/c1-10-6-11(16(19)20)9-17(8-10)15(18)13-7-12(21-2)4-5-14(13)22-3/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,19,20)
InChIKeyLFOQDLSMIAYIGQ-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.89
Rot. Bonds4

About 1-(2,5-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid

1-(2,5-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122119203) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-(2,5-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122119203
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name1-(2,5-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
SMILESCOc1ccc(OC)c(C(=O)N2CC(C)CC(C(=O)O)C2)c1
InChIInChI=1S/C16H21NO5/c1-10-6-11(16(19)20)9-17(8-10)15(18)13-7-12(21-2)4-5-14(13)22-3/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,19,20)
InChIKeyLFOQDLSMIAYIGQ-UHFFFAOYSA-N
XLogP1.89
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 51885492
1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 43092130
(2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 789243
(2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 39910406
1-(2,6-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122117578
1-(2-hydroxy-3-methoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122117423
(3-aminoazetidin-1-yl)-(2,5-dimethoxyphenyl)methanone
CID 63755995
1-[(2,5-dimethoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122072
(3,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone
CID 42940425
1-(6-methoxy-2H-chromene-3-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118636
(4-amino-3-methylpiperidin-1-yl)-(2,5-dimethoxyphenyl)methanone
CID 79880599
(5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 2904490

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2,5-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid (CID 122119203) is 1-(2,5-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,5-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2,5-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid is COc1ccc(OC)c(C(=O)N2CC(C)CC(C(=O)O)C2)c1.
What is the InChIKey of 1-(2,5-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is LFOQDLSMIAYIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-10-6-11(16(19)20)9-17(8-10)15(18)13-7-12(21-2)4-5-14(13)22-3/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,19,20).
What are the key properties of 1-(2,5-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid?
1-(2,5-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122119203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).