3-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

C17H20N4O3 — CID 124998854

IUPAC3-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESCc1cnc([C@H]2COCCN2C(=O)c2cc3c([nH]c2=O)CCC3)[nH]1
InChIInChI=1S/C17H20N4O3/c1-10-8-18-15(19-10)14-9-24-6-5-21(14)17(23)12-7-11-3-2-4-13(11)20-16(12)22/h7-8,14H,2-6,9H2,1H3,(H,18,19)(H,20,22)/t14-/m1/s1
InChIKeyRKRBFGUCOBXEHP-CQSZACIVSA-N
MW328.37 g/mol
LogP1.11
Rot. Bonds2

About 3-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

3-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (PubChem CID 124998854) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
PubChem CID124998854
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name3-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESCc1cnc([C@H]2COCCN2C(=O)c2cc3c([nH]c2=O)CCC3)[nH]1
InChIInChI=1S/C17H20N4O3/c1-10-8-18-15(19-10)14-9-24-6-5-21(14)17(23)12-7-11-3-2-4-13(11)20-16(12)22/h7-8,14H,2-6,9H2,1H3,(H,18,19)(H,20,22)/t14-/m1/s1
InChIKeyRKRBFGUCOBXEHP-CQSZACIVSA-N
XLogP1.11
TPSA91.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 110104163
6-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidine-2,4-dione
CID 125005017
(3,5-difluorophenyl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105429
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 125017180
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone
CID 125016255
[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-8-ylmethanone
CID 110105482
[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone
CID 110105457
(3-cyclohexyl-1,2-oxazol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 125012998
1-[2-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
CID 124946055
(2-methyl-3H-benzimidazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 124959074
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone
CID 124996414
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 124993027

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The IUPAC name of 3-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (CID 124998854) is 3-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.
What is the SMILES notation for 3-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The canonical SMILES for 3-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is Cc1cnc([C@H]2COCCN2C(=O)c2cc3c([nH]c2=O)CCC3)[nH]1.
What is the InChIKey of 3-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The InChIKey is RKRBFGUCOBXEHP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-10-8-18-15(19-10)14-9-24-6-5-21(14)17(23)12-7-11-3-2-4-13(11)20-16(12)22/h7-8,14H,2-6,9H2,1H3,(H,18,19)(H,20,22)/t14-/m1/s1.
What are the key properties of 3-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
3-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one has a molecular weight of 328.37 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is sourced from PubChem (CID 124998854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).