1-[4-(pyridin-4-ylmethoxy)benzoyl]piperidine-4-carboxylic acid

C19H20N2O4 — CID 119349671

IUPAC1-[4-(pyridin-4-ylmethoxy)benzoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccc(OCc3ccncc3)cc2)CC1
InChIInChI=1S/C19H20N2O4/c22-18(21-11-7-16(8-12-21)19(23)24)15-1-3-17(4-2-15)25-13-14-5-9-20-10-6-14/h1-6,9-10,16H,7-8,11-13H2,(H,23,24)
InChIKeyXCPYMGWNVYFETJ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.60
Rot. Bonds5

About 1-[4-(pyridin-4-ylmethoxy)benzoyl]piperidine-4-carboxylic acid

1-[4-(pyridin-4-ylmethoxy)benzoyl]piperidine-4-carboxylic acid (PubChem CID 119349671) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[4-(pyridin-4-ylmethoxy)benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(pyridin-4-ylmethoxy)benzoyl]piperidine-4-carboxylic acid
PubChem CID119349671
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name1-[4-(pyridin-4-ylmethoxy)benzoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccc(OCc3ccncc3)cc2)CC1
InChIInChI=1S/C19H20N2O4/c22-18(21-11-7-16(8-12-21)19(23)24)15-1-3-17(4-2-15)25-13-14-5-9-20-10-6-14/h1-6,9-10,16H,7-8,11-13H2,(H,23,24)
InChIKeyXCPYMGWNVYFETJ-UHFFFAOYSA-N
XLogP2.60
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125135118
(2S)-1-[4-(pyridin-4-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 119365774
(3S,4S)-4-methyl-1-[4-(pyridin-4-ylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 120952979
1-[4-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid
CID 54793764
1-(4-prop-2-ynoxybenzoyl)piperidine-4-carboxylic acid
CID 119166204
[1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134041883
1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxylic acid
CID 119349727
azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
(4-phenylmethoxyphenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 155318665
azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830
[4-[[4-(hydroxymethyl)phenoxy]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 110884966
[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638786

Frequently Asked Questions

What is the IUPAC name of 1-[4-(pyridin-4-ylmethoxy)benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-(pyridin-4-ylmethoxy)benzoyl]piperidine-4-carboxylic acid (CID 119349671) is 1-[4-(pyridin-4-ylmethoxy)benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-(pyridin-4-ylmethoxy)benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-(pyridin-4-ylmethoxy)benzoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2ccc(OCc3ccncc3)cc2)CC1.
What is the InChIKey of 1-[4-(pyridin-4-ylmethoxy)benzoyl]piperidine-4-carboxylic acid?
The InChIKey is XCPYMGWNVYFETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-18(21-11-7-16(8-12-21)19(23)24)15-1-3-17(4-2-15)25-13-14-5-9-20-10-6-14/h1-6,9-10,16H,7-8,11-13H2,(H,23,24).
What are the key properties of 1-[4-(pyridin-4-ylmethoxy)benzoyl]piperidine-4-carboxylic acid?
1-[4-(pyridin-4-ylmethoxy)benzoyl]piperidine-4-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(pyridin-4-ylmethoxy)benzoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119349671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).