3-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

C18H24N2O3 — CID 72889491

IUPAC3-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESC[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCC3)CC[C@@]1(O)C1CC1
InChIInChI=1S/C18H24N2O3/c1-11-10-20(8-7-18(11,23)13-5-6-13)17(22)14-9-12-3-2-4-15(12)19-16(14)21/h9,11,13,23H,2-8,10H2,1H3,(H,19,21)/t11-,18+/m1/s1
InChIKeyUZFKNRHBPRKWMB-ZMZPIMSZSA-N
MW316.40 g/mol
LogP1.49
Rot. Bonds2

About 3-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

3-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (PubChem CID 72889491) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name3-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
PubChem CID72889491
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name3-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESC[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCC3)CC[C@@]1(O)C1CC1
InChIInChI=1S/C18H24N2O3/c1-11-10-20(8-7-18(11,23)13-5-6-13)17(22)14-9-12-3-2-4-15(12)19-16(14)21/h9,11,13,23H,2-8,10H2,1H3,(H,19,21)/t11-,18+/m1/s1
InChIKeyUZFKNRHBPRKWMB-ZMZPIMSZSA-N
XLogP1.49
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The IUPAC name of 3-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (CID 72889491) is 3-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.
What is the SMILES notation for 3-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The canonical SMILES for 3-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is C[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCC3)CC[C@@]1(O)C1CC1.
What is the InChIKey of 3-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The InChIKey is UZFKNRHBPRKWMB-ZMZPIMSZSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-11-10-20(8-7-18(11,23)13-5-6-13)17(22)14-9-12-3-2-4-15(12)19-16(14)21/h9,11,13,23H,2-8,10H2,1H3,(H,19,21)/t11-,18+/m1/s1.
What are the key properties of 3-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
3-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one has a molecular weight of 316.40 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is sourced from PubChem (CID 72889491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).