2-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]pyridine-4-carboxylic acid

C16H20N2O4 — CID 122056346

IUPAC2-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)N2CCCC(OCC3CC3)C2)c1
InChIInChI=1S/C16H20N2O4/c19-15(14-8-12(16(20)21)5-6-17-14)18-7-1-2-13(9-18)22-10-11-3-4-11/h5-6,8,11,13H,1-4,7,9-10H2,(H,20,21)
InChIKeyIYJMZQSVPCZTTE-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.81
Rot. Bonds5

About 2-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]pyridine-4-carboxylic acid

2-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]pyridine-4-carboxylic acid (PubChem CID 122056346) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]pyridine-4-carboxylic acid
PubChem CID122056346
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)N2CCCC(OCC3CC3)C2)c1
InChIInChI=1S/C16H20N2O4/c19-15(14-8-12(16(20)21)5-6-17-14)18-7-1-2-13(9-18)22-10-11-3-4-11/h5-6,8,11,13H,1-4,7,9-10H2,(H,20,21)
InChIKeyIYJMZQSVPCZTTE-UHFFFAOYSA-N
XLogP1.81
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122056069
2-[3-(3-methylbutoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055980
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 129452854
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129492855
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 121197527
2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid
CID 122055947
4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700662
4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 113384996
2-[3-[(3S)-3-propoxypiperidine-1-carbonyl]phenyl]pyridine-4-carboxylic acid
CID 125163547
2-(3-benzylpyrrolidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122055218
2-(4-tert-butylazepane-1-carbonyl)pyridine-4-carboxylic acid
CID 122055710
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 129357837

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]pyridine-4-carboxylic acid (CID 122056346) is 2-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(C(=O)N2CCCC(OCC3CC3)C2)c1.
What is the InChIKey of 2-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]pyridine-4-carboxylic acid?
The InChIKey is IYJMZQSVPCZTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-15(14-8-12(16(20)21)5-6-17-14)18-7-1-2-13(9-18)22-10-11-3-4-11/h5-6,8,11,13H,1-4,7,9-10H2,(H,20,21).
What are the key properties of 2-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]pyridine-4-carboxylic acid?
2-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]pyridine-4-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122056346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).