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

C19H25N3O2 — CID 84589335

IUPAC1-[1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C(C1Cc2ccccc2CN1)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C19H25N3O2/c23-18-6-3-9-22(18)16-7-10-21(11-8-16)19(24)17-12-14-4-1-2-5-15(14)13-20-17/h1-2,4-5,16-17,20H,3,6-13H2
InChIKeyVYKGINXOGLIVQQ-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.31
Rot. Bonds2

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

1-[1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 84589335) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID84589335
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C(C1Cc2ccccc2CN1)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C19H25N3O2/c23-18-6-3-9-22(18)16-7-10-21(11-8-16)19(24)17-12-14-4-1-2-5-15(14)13-20-17/h1-2,4-5,16-17,20H,3,6-13H2
InChIKeyVYKGINXOGLIVQQ-UHFFFAOYSA-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

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Related Compounds

1-[(3S)-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidin-3-yl]pyrrolidin-2-one
CID 97235238
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
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
piperazin-1-yl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 93101281
(4-methoxypiperidin-1-yl)-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 61156076
(4-methoxypiperidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone;hydrochloride
CID 119275336
N-propan-2-yl-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide
CID 75429835
N-methyl-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide
CID 119275567
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 81422561
N-cyclopentyl-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidine-4-carboxamide
CID 40870441

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one (CID 84589335) is 1-[1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one is O=C(C1Cc2ccccc2CN1)N1CCC(N2CCCC2=O)CC1.
What is the InChIKey of 1-[1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is VYKGINXOGLIVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-18-6-3-9-22(18)16-7-10-21(11-8-16)19(24)17-12-14-4-1-2-5-15(14)13-20-17/h1-2,4-5,16-17,20H,3,6-13H2.
What are the key properties of 1-[1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
1-[1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidin-4-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-[1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 84589335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).