1-[(3S)-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidin-3-yl]pyrrolidin-2-one

C19H25N3O2 — CID 97235238

IUPAC1-[(3S)-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidin-3-yl]pyrrolidin-2-one
SMILESO=C([C@@H]1Cc2ccccc2CN1)N1CCC[C@H](N2CCCC2=O)C1
InChIInChI=1S/C19H25N3O2/c23-18-8-4-10-22(18)16-7-3-9-21(13-16)19(24)17-11-14-5-1-2-6-15(14)12-20-17/h1-2,5-6,16-17,20H,3-4,7-13H2/t16-,17-/m0/s1
InChIKeyMABAWODDJZQIMS-IRXDYDNUSA-N
MW327.43 g/mol
LogP1.31
Rot. Bonds2

About 1-[(3S)-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidin-3-yl]pyrrolidin-2-one

1-[(3S)-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidin-3-yl]pyrrolidin-2-one (PubChem CID 97235238) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[(3S)-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3S)-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidin-3-yl]pyrrolidin-2-one
PubChem CID97235238
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[(3S)-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidin-3-yl]pyrrolidin-2-one
SMILESO=C([C@@H]1Cc2ccccc2CN1)N1CCC[C@H](N2CCCC2=O)C1
InChIInChI=1S/C19H25N3O2/c23-18-8-4-10-22(18)16-7-3-9-21(13-16)19(24)17-11-14-5-1-2-6-15(14)12-20-17/h1-2,5-6,16-17,20H,3-4,7-13H2/t16-,17-/m0/s1
InChIKeyMABAWODDJZQIMS-IRXDYDNUSA-N
XLogP1.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3S)-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidin-3-yl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 84589335
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 61165664
azocan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 43211891
azepan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone;hydrochloride
CID 119261624
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 81422561
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 107220658
(3-hydroxy-4-methylpiperidin-1-yl)-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 102957156
[3-(dimethylamino)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 63166926
(2-methyl-1,4-oxazepan-4-yl)-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 104896483
[(2S)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 125151046
1,2,3,4-tetrahydroisoquinolin-3-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 119280550
(4-methylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 4911281

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidin-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(3S)-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidin-3-yl]pyrrolidin-2-one (CID 97235238) is 1-[(3S)-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(3S)-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(3S)-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidin-3-yl]pyrrolidin-2-one is O=C([C@@H]1Cc2ccccc2CN1)N1CCC[C@H](N2CCCC2=O)C1.
What is the InChIKey of 1-[(3S)-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidin-3-yl]pyrrolidin-2-one?
The InChIKey is MABAWODDJZQIMS-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-18-8-4-10-22(18)16-7-3-9-21(13-16)19(24)17-11-14-5-1-2-6-15(14)12-20-17/h1-2,5-6,16-17,20H,3-4,7-13H2/t16-,17-/m0/s1.
What are the key properties of 1-[(3S)-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidin-3-yl]pyrrolidin-2-one?
1-[(3S)-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidin-3-yl]pyrrolidin-2-one has a molecular weight of 327.43 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 97235238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).