1-(3-chloro-4-pyridin-4-yloxybenzoyl)-6-methylpiperidine-3-carboxylic acid

C19H19ClN2O4 — CID 122113159

IUPAC1-(3-chloro-4-pyridin-4-yloxybenzoyl)-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)c1ccc(Oc2ccncc2)c(Cl)c1
InChIInChI=1S/C19H19ClN2O4/c1-12-2-3-14(19(24)25)11-22(12)18(23)13-4-5-17(16(20)10-13)26-15-6-8-21-9-7-15/h4-10,12,14H,2-3,11H2,1H3,(H,24,25)
InChIKeyCDEXDBYWGZQRCD-UHFFFAOYSA-N
MW374.82 g/mol
LogP3.85
Rot. Bonds4

About 1-(3-chloro-4-pyridin-4-yloxybenzoyl)-6-methylpiperidine-3-carboxylic acid

1-(3-chloro-4-pyridin-4-yloxybenzoyl)-6-methylpiperidine-3-carboxylic acid (PubChem CID 122113159) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridin-4-yloxybenzoyl)-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-4-pyridin-4-yloxybenzoyl)-6-methylpiperidine-3-carboxylic acid
PubChem CID122113159
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name1-(3-chloro-4-pyridin-4-yloxybenzoyl)-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)c1ccc(Oc2ccncc2)c(Cl)c1
InChIInChI=1S/C19H19ClN2O4/c1-12-2-3-14(19(24)25)11-22(12)18(23)13-4-5-17(16(20)10-13)26-15-6-8-21-9-7-15/h4-10,12,14H,2-3,11H2,1H3,(H,24,25)
InChIKeyCDEXDBYWGZQRCD-UHFFFAOYSA-N
XLogP3.85
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-pyridin-4-yloxybenzoyl)pyrrolidine-2-carboxylic acid
CID 126769558
(3-chloro-4-pyridin-4-yloxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 111332849
(3-chloro-4-pyridin-4-yloxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023340
1-(5-chloro-6-ethoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112919
(4-aminopiperidin-1-yl)-(3-chloro-4-pyridin-4-yloxyphenyl)methanone;dihydrochloride
CID 119374896
3-chloro-4-pyridin-4-yloxybenzoic acid;hydrochloride
CID 54593353
(3-chloro-4-pyridin-4-yloxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540458
1-(3-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122083734
1-(3-methoxy-4-nitrobenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122083688
6-methyl-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 122112680
1-(5-fluoropyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083524
6-methyl-1-(4-prop-2-enoxybenzoyl)piperidine-3-carboxylic acid
CID 122083617

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridin-4-yloxybenzoyl)-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3-chloro-4-pyridin-4-yloxybenzoyl)-6-methylpiperidine-3-carboxylic acid (CID 122113159) is 1-(3-chloro-4-pyridin-4-yloxybenzoyl)-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-4-pyridin-4-yloxybenzoyl)-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-chloro-4-pyridin-4-yloxybenzoyl)-6-methylpiperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1C(=O)c1ccc(Oc2ccncc2)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-pyridin-4-yloxybenzoyl)-6-methylpiperidine-3-carboxylic acid?
The InChIKey is CDEXDBYWGZQRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-12-2-3-14(19(24)25)11-22(12)18(23)13-4-5-17(16(20)10-13)26-15-6-8-21-9-7-15/h4-10,12,14H,2-3,11H2,1H3,(H,24,25).
What are the key properties of 1-(3-chloro-4-pyridin-4-yloxybenzoyl)-6-methylpiperidine-3-carboxylic acid?
1-(3-chloro-4-pyridin-4-yloxybenzoyl)-6-methylpiperidine-3-carboxylic acid has a molecular weight of 374.82 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridin-4-yloxybenzoyl)-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122113159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).