(3S)-1-[5-(4-methoxyphenyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid

C19H20N2O4 — CID 120514160

IUPAC(3S)-1-[5-(4-methoxyphenyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(-c2cncc(C(=O)N3CCC[C@H](C(=O)O)C3)c2)cc1
InChIInChI=1S/C19H20N2O4/c1-25-17-6-4-13(5-7-17)15-9-16(11-20-10-15)18(22)21-8-2-3-14(12-21)19(23)24/h4-7,9-11,14H,2-3,8,12H2,1H3,(H,23,24)/t14-/m0/s1
InChIKeyMJLULVURAFJLNH-AWEZNQCLSA-N
MW340.38 g/mol
LogP2.69
Rot. Bonds4

About (3S)-1-[5-(4-methoxyphenyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid

(3S)-1-[5-(4-methoxyphenyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid (PubChem CID 120514160) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (3S)-1-[5-(4-methoxyphenyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[5-(4-methoxyphenyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
PubChem CID120514160
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(3S)-1-[5-(4-methoxyphenyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(-c2cncc(C(=O)N3CCC[C@H](C(=O)O)C3)c2)cc1
InChIInChI=1S/C19H20N2O4/c1-25-17-6-4-13(5-7-17)15-9-16(11-20-10-15)18(22)21-8-2-3-14(12-21)19(23)24/h4-7,9-11,14H,2-3,8,12H2,1H3,(H,23,24)/t14-/m0/s1
InChIKeyMJLULVURAFJLNH-AWEZNQCLSA-N
XLogP2.69
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-methoxyphenyl)-3-pyridinyl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124620498
3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-(4-methoxyphenyl)-3-pyridinyl]methanone;dihydrochloride
CID 119636013
(3S)-1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 858669
ethyl (3R)-1-[5-(2,5-dimethoxyphenyl)pyridine-3-carbonyl]piperidine-3-carboxylate
CID 93232627
(3S)-1-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119112072
1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid
CID 43355913
(4-methoxy-4-methylpiperidin-1-yl)-[5-(4-methoxyphenyl)-3-pyridinyl]methanone
CID 146125670
[(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone
CID 124987464
(3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 51885492
1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 43092130
[4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-3-pyridinyl]methanone;dihydrochloride
CID 119622551
1-(2-amino-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 82546755

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[5-(4-methoxyphenyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[5-(4-methoxyphenyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid (CID 120514160) is (3S)-1-[5-(4-methoxyphenyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[5-(4-methoxyphenyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[5-(4-methoxyphenyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid is COc1ccc(-c2cncc(C(=O)N3CCC[C@H](C(=O)O)C3)c2)cc1.
What is the InChIKey of (3S)-1-[5-(4-methoxyphenyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is MJLULVURAFJLNH-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-25-17-6-4-13(5-7-17)15-9-16(11-20-10-15)18(22)21-8-2-3-14(12-21)19(23)24/h4-7,9-11,14H,2-3,8,12H2,1H3,(H,23,24)/t14-/m0/s1.
What are the key properties of (3S)-1-[5-(4-methoxyphenyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid?
(3S)-1-[5-(4-methoxyphenyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[5-(4-methoxyphenyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 120514160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).