1-[[2-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamoyl]piperidine-3-carboxylic acid

C20H22N4O5 — CID 122086211

IUPAC1-[[2-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCNC(=O)c1cc(Oc2ccccc2NC(=O)N2CCCC(C(=O)O)C2)ccn1
InChIInChI=1S/C20H22N4O5/c1-21-18(25)16-11-14(8-9-22-16)29-17-7-3-2-6-15(17)23-20(28)24-10-4-5-13(12-24)19(26)27/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,21,25)(H,23,28)(H,26,27)
InChIKeyJBYCUYNVEGHGCT-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.56
Rot. Bonds5

About 1-[[2-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamoyl]piperidine-3-carboxylic acid

1-[[2-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122086211) has the molecular formula C20H22N4O5 and a molecular weight of 398.42 g/mol. Its IUPAC name is 1-[[2-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122086211
Molecular FormulaC20H22N4O5
Molecular Weight398.42 g/mol
Exact Mass398.16
IUPAC Name1-[[2-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCNC(=O)c1cc(Oc2ccccc2NC(=O)N2CCCC(C(=O)O)C2)ccn1
InChIInChI=1S/C20H22N4O5/c1-21-18(25)16-11-14(8-9-22-16)29-17-7-3-2-6-15(17)23-20(28)24-10-4-5-13(12-24)19(26)27/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,21,25)(H,23,28)(H,26,27)
InChIKeyJBYCUYNVEGHGCT-UHFFFAOYSA-N
XLogP2.56
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(4-methylphenoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122074253
4-[2-[[2-(cyclopropylmethylamino)acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride
CID 119893186
1-[(2-methoxy-4-phenoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122087463
4-(azepan-1-yl)-N-(2-phenoxyphenyl)pyridine-2-carboxamide
CID 109218712
4-[1-[(2-methoxyphenyl)carbamoyl]piperidin-3-yl]oxypyridine-2-carboxamide
CID 122257006
4-(2-acetamidophenoxy)pyridine-2-carboxylic acid
CID 43142934
N-methyl-4-[2-[[2-methyl-3-(methylamino)propanoyl]amino]phenoxy]pyridine-2-carboxamide
CID 119893191
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512559
1-[(2-ethoxy-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122076630
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 56684470

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[2-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamoyl]piperidine-3-carboxylic acid (CID 122086211) is 1-[[2-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[2-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[2-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamoyl]piperidine-3-carboxylic acid is CNC(=O)c1cc(Oc2ccccc2NC(=O)N2CCCC(C(=O)O)C2)ccn1.
What is the InChIKey of 1-[[2-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is JBYCUYNVEGHGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5/c1-21-18(25)16-11-14(8-9-22-16)29-17-7-3-2-6-15(17)23-20(28)24-10-4-5-13(12-24)19(26)27/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,21,25)(H,23,28)(H,26,27).
What are the key properties of 1-[[2-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamoyl]piperidine-3-carboxylic acid?
1-[[2-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 398.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122086211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).