1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid

C14H19N3O4 — CID 62992812

IUPAC1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCOc1ccc(CNC(=O)N2CCC(C(=O)O)CC2)cn1
InChIInChI=1S/C14H19N3O4/c1-21-12-3-2-10(8-15-12)9-16-14(20)17-6-4-11(5-7-17)13(18)19/h2-3,8,11H,4-7,9H2,1H3,(H,16,20)(H,18,19)
InChIKeyJWQNIFBYXGOTLN-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.10
Rot. Bonds4

About 1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid

1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 62992812) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID62992812
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCOc1ccc(CNC(=O)N2CCC(C(=O)O)CC2)cn1
InChIInChI=1S/C14H19N3O4/c1-21-12-3-2-10(8-15-12)9-16-14(20)17-6-4-11(5-7-17)13(18)19/h2-3,8,11H,4-7,9H2,1H3,(H,16,20)(H,18,19)
InChIKeyJWQNIFBYXGOTLN-UHFFFAOYSA-N
XLogP1.10
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid (CID 62992812) is 1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid is COc1ccc(CNC(=O)N2CCC(C(=O)O)CC2)cn1.
What is the InChIKey of 1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is JWQNIFBYXGOTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-21-12-3-2-10(8-15-12)9-16-14(20)17-6-4-11(5-7-17)13(18)19/h2-3,8,11H,4-7,9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid?
1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 62992812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).