(3S,6R)-1-(furo[3,2-b]pyridine-6-carbonyl)-6-methylpiperidine-3-carboxylic acid

C15H16N2O4 — CID 167751397

IUPAC(3S,6R)-1-(furo[3,2-b]pyridine-6-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1CC[C@H](C(=O)O)CN1C(=O)c1cnc2ccoc2c1
InChIInChI=1S/C15H16N2O4/c1-9-2-3-10(15(19)20)8-17(9)14(18)11-6-13-12(16-7-11)4-5-21-13/h4-7,9-10H,2-3,8H2,1H3,(H,19,20)/t9-,10+/m1/s1
InChIKeyYGJPQJQWQCCHJX-ZJUUUORDSA-N
MW288.30 g/mol
LogP2.15
Rot. Bonds2

About (3S,6R)-1-(furo[3,2-b]pyridine-6-carbonyl)-6-methylpiperidine-3-carboxylic acid

(3S,6R)-1-(furo[3,2-b]pyridine-6-carbonyl)-6-methylpiperidine-3-carboxylic acid (PubChem CID 167751397) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is (3S,6R)-1-(furo[3,2-b]pyridine-6-carbonyl)-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,6R)-1-(furo[3,2-b]pyridine-6-carbonyl)-6-methylpiperidine-3-carboxylic acid
PubChem CID167751397
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name(3S,6R)-1-(furo[3,2-b]pyridine-6-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1CC[C@H](C(=O)O)CN1C(=O)c1cnc2ccoc2c1
InChIInChI=1S/C15H16N2O4/c1-9-2-3-10(15(19)20)8-17(9)14(18)11-6-13-12(16-7-11)4-5-21-13/h4-7,9-10H,2-3,8H2,1H3,(H,19,20)/t9-,10+/m1/s1
InChIKeyYGJPQJQWQCCHJX-ZJUUUORDSA-N
XLogP2.15
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083728
1-(5-chloro-6-ethoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112919
1-(5-fluoropyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083524
1-(3-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122083734
4-(5-carbamoyl-2-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 115730234
6-methyl-1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 122113029
1-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122112738
6-methyl-1-[4-(5-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 122114234
6-methyl-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122083597
6-methyl-1-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 122113684
1-(2-fluoropyridine-4-carbonyl)-6-methylpiperidine-3-carboxamide
CID 61292731
(3R,6R)-6-methyl-1-(6-morpholin-4-ylpyridine-3-carbonyl)piperidine-3-carboxamide
CID 95585110

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-1-(furo[3,2-b]pyridine-6-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of (3S,6R)-1-(furo[3,2-b]pyridine-6-carbonyl)-6-methylpiperidine-3-carboxylic acid (CID 167751397) is (3S,6R)-1-(furo[3,2-b]pyridine-6-carbonyl)-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3S,6R)-1-(furo[3,2-b]pyridine-6-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for (3S,6R)-1-(furo[3,2-b]pyridine-6-carbonyl)-6-methylpiperidine-3-carboxylic acid is C[C@@H]1CC[C@H](C(=O)O)CN1C(=O)c1cnc2ccoc2c1.
What is the InChIKey of (3S,6R)-1-(furo[3,2-b]pyridine-6-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The InChIKey is YGJPQJQWQCCHJX-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9-2-3-10(15(19)20)8-17(9)14(18)11-6-13-12(16-7-11)4-5-21-13/h4-7,9-10H,2-3,8H2,1H3,(H,19,20)/t9-,10+/m1/s1.
What are the key properties of (3S,6R)-1-(furo[3,2-b]pyridine-6-carbonyl)-6-methylpiperidine-3-carboxylic acid?
(3S,6R)-1-(furo[3,2-b]pyridine-6-carbonyl)-6-methylpiperidine-3-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-1-(furo[3,2-b]pyridine-6-carbonyl)-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 167751397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).