6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone

C15H20N2O3 — CID 72850528

IUPAC6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
SMILESC[C@@]1(O)CCN(C(=O)c2cnc3c(c2)CCC3)C[C@@H]1O
InChIInChI=1S/C15H20N2O3/c1-15(20)5-6-17(9-13(15)18)14(19)11-7-10-3-2-4-12(10)16-8-11/h7-8,13,18,20H,2-6,9H2,1H3/t13-,15+/m0/s1
InChIKeyKYRXOACPGZDERW-DZGCQCFKSA-N
MW276.34 g/mol
LogP0.53
Rot. Bonds1

About 6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone

6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone (PubChem CID 72850528) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
PubChem CID72850528
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
SMILESC[C@@]1(O)CCN(C(=O)c2cnc3c(c2)CCC3)C[C@@H]1O
InChIInChI=1S/C15H20N2O3/c1-15(20)5-6-17(9-13(15)18)14(19)11-7-10-3-2-4-12(10)16-8-11/h7-8,13,18,20H,2-6,9H2,1H3/t13-,15+/m0/s1
InChIKeyKYRXOACPGZDERW-DZGCQCFKSA-N
XLogP0.53
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone with MolForge

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Related Compounds

[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone
CID 72850307
6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 125163761
6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride
CID 66815672
2H-benzotriazol-5-yl-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
CID 72925092
4-[(3S,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one
CID 72890012
6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl-[(1S,9S)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-12-yl]methanone
CID 118772817
N-[(3R,4S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 154898973
(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(5,6,7,8-tetrahydroquinolin-3-yl)methanone
CID 72929853
[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone
CID 122562869
(1R,5S)-6-(2-methoxyethyl)-3-(5,6,7,8-tetrahydroquinoline-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133111053
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-phenylmethanone
CID 115269824
(5-chloro-2-fluorophenyl)-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
CID 72912955

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone (CID 72850528) is 6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone is C[C@@]1(O)CCN(C(=O)c2cnc3c(c2)CCC3)C[C@@H]1O.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone?
The InChIKey is KYRXOACPGZDERW-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(20)5-6-17(9-13(15)18)14(19)11-7-10-3-2-4-12(10)16-8-11/h7-8,13,18,20H,2-6,9H2,1H3/t13-,15+/m0/s1.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone?
6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone has a molecular weight of 276.34 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 72850528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).