1-[(5-phenoxy-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid

C18H19N3O4 — CID 122089479

IUPAC1-[(5-phenoxy-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2ccc(Oc3ccccc3)cn2)CC1
InChIInChI=1S/C18H19N3O4/c22-17(23)13-8-10-21(11-9-13)18(24)20-16-7-6-15(12-19-16)25-14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,22,23)(H,19,20,24)
InChIKeyKIBFENDATXSFHP-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.20
Rot. Bonds4

About 1-[(5-phenoxy-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid

1-[(5-phenoxy-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122089479) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-[(5-phenoxy-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5-phenoxy-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID122089479
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name1-[(5-phenoxy-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2ccc(Oc3ccccc3)cn2)CC1
InChIInChI=1S/C18H19N3O4/c22-17(23)13-8-10-21(11-9-13)18(24)20-16-7-6-15(12-19-16)25-14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,22,23)(H,19,20,24)
InChIKeyKIBFENDATXSFHP-UHFFFAOYSA-N
XLogP3.20
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methoxy-4-phenoxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122087465
1-[[6-(4-chlorophenoxy)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078011
1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122085769
1-[(2-phenylpyrimidin-5-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122076993
N-(5-bromo-2-pyridinyl)-1-(3-phenoxybenzoyl)piperidine-4-carboxamide
CID 55815692
4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51180162
1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3912866
1-[(2-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318513
4-methyl-N-pyridin-2-ylpiperidine-1-carboxamide
CID 47266968
N-[5-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-2-pyridinyl]-2-phenylacetamide
CID 175623233
1-[[3-(2-phenylethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122092864
1-(2-phenoxypropylcarbamoyl)piperidine-4-carboxylic acid
CID 122002152

Frequently Asked Questions

What is the IUPAC name of 1-[(5-phenoxy-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(5-phenoxy-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid (CID 122089479) is 1-[(5-phenoxy-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(5-phenoxy-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(5-phenoxy-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)Nc2ccc(Oc3ccccc3)cn2)CC1.
What is the InChIKey of 1-[(5-phenoxy-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is KIBFENDATXSFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-17(23)13-8-10-21(11-9-13)18(24)20-16-7-6-15(12-19-16)25-14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,22,23)(H,19,20,24).
What are the key properties of 1-[(5-phenoxy-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid?
1-[(5-phenoxy-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 341.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-phenoxy-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122089479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).