1-(3-carbamoyl-2-pyridinyl)-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid

C19H21N3O5 — CID 70755771

IUPAC1-(3-carbamoyl-2-pyridinyl)-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
SMILESCOc1ccccc1OC1(C(=O)O)CCN(c2ncccc2C(N)=O)CC1
InChIInChI=1S/C19H21N3O5/c1-26-14-6-2-3-7-15(14)27-19(18(24)25)8-11-22(12-9-19)17-13(16(20)23)5-4-10-21-17/h2-7,10H,8-9,11-12H2,1H3,(H2,20,23)(H,24,25)
InChIKeyDBHDZNKTIQSYBU-UHFFFAOYSA-N
MW371.39 g/mol
LogP1.69
Rot. Bonds6

About 1-(3-carbamoyl-2-pyridinyl)-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid

1-(3-carbamoyl-2-pyridinyl)-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid (PubChem CID 70755771) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 1-(3-carbamoyl-2-pyridinyl)-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-carbamoyl-2-pyridinyl)-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
PubChem CID70755771
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name1-(3-carbamoyl-2-pyridinyl)-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
SMILESCOc1ccccc1OC1(C(=O)O)CCN(c2ncccc2C(N)=O)CC1
InChIInChI=1S/C19H21N3O5/c1-26-14-6-2-3-7-15(14)27-19(18(24)25)8-11-22(12-9-19)17-13(16(20)23)5-4-10-21-17/h2-7,10H,8-9,11-12H2,1H3,(H2,20,23)(H,24,25)
InChIKeyDBHDZNKTIQSYBU-UHFFFAOYSA-N
XLogP1.69
TPSA114.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-amino-3-pyridinyl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
CID 70757151
2-(6-azaspiro[2.5]octan-6-yl)pyridine-3-carboxamide
CID 163287557
1-(2-methoxyphenoxy)cyclopentane-1-carboxylic acid
CID 82129517
1-[(2-ethylpyrimidin-5-yl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
CID 70776089
1-[(2R)-2,3-dihydroxypropyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
CID 96576694
1-(3-carbamoyl-2-pyridinyl)-2-methylpiperidine-2-carboxylic acid
CID 104595801
2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 126770760
2-[1-(3-carbamoyl-2-pyridinyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657909
1-ethylsulfonyl-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
CID 56891383
1'-(3-methoxy-2-pyridinyl)spiro[4,7-dihydropyrazolo[5,1-c][1,4]oxazine-6,4'-piperidine]-2-carboxamide
CID 154784649
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 84574700
8-(3-carbamoyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56884605

Frequently Asked Questions

What is the IUPAC name of 1-(3-carbamoyl-2-pyridinyl)-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-carbamoyl-2-pyridinyl)-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid (CID 70755771) is 1-(3-carbamoyl-2-pyridinyl)-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-carbamoyl-2-pyridinyl)-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-carbamoyl-2-pyridinyl)-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid is COc1ccccc1OC1(C(=O)O)CCN(c2ncccc2C(N)=O)CC1.
What is the InChIKey of 1-(3-carbamoyl-2-pyridinyl)-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid?
The InChIKey is DBHDZNKTIQSYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-26-14-6-2-3-7-15(14)27-19(18(24)25)8-11-22(12-9-19)17-13(16(20)23)5-4-10-21-17/h2-7,10H,8-9,11-12H2,1H3,(H2,20,23)(H,24,25).
What are the key properties of 1-(3-carbamoyl-2-pyridinyl)-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid?
1-(3-carbamoyl-2-pyridinyl)-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid has a molecular weight of 371.39 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-carbamoyl-2-pyridinyl)-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid is sourced from PubChem (CID 70755771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).