5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one

C22H31N3O3 — CID 24790829

IUPAC5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCc3ccccc3C2)CN1CCCN1CCOCC1
InChIInChI=1S/C22H31N3O3/c26-21-7-6-20(17-24(21)10-3-9-23-12-14-28-15-13-23)22(27)25-11-8-18-4-1-2-5-19(18)16-25/h1-2,4-5,20H,3,6-17H2
InChIKeyNVPWHECXEFRFQJ-UHFFFAOYSA-N
MW385.51 g/mol
LogP1.53
Rot. Bonds5

About 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one

5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one (PubChem CID 24790829) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one
PubChem CID24790829
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCc3ccccc3C2)CN1CCCN1CCOCC1
InChIInChI=1S/C22H31N3O3/c26-21-7-6-20(17-24(21)10-3-9-23-12-14-28-15-13-23)22(27)25-11-8-18-4-1-2-5-19(18)16-25/h1-2,4-5,20H,3,6-17H2
InChIKeyNVPWHECXEFRFQJ-UHFFFAOYSA-N
XLogP1.53
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4aS,8R,8aS)-2-benzyl-8-(morpholine-4-carbonyl)-3,4,4a,7,8,8a-hexahydroisoquinolin-1-one
CID 24747517
5-{[4-(2-Methoxyethyl)-1-piperazinyl]carbonyl}-1-(2-phenylethyl)-2-piperidinone
CID 24793163
N-(3-fluorobenzyl)-1-[3-(4-morpholinyl)propyl]-6-oxo-3-piperidinecarboxamide
CID 24791214
N-(4-methylbenzyl)-1-[3-(4-morpholinyl)propyl]-6-oxo-3-piperidinecarboxamide
CID 24793244
N-benzyl-N-(2-hydroxyethyl)-1-[3-(4-morpholinyl)propyl]-6-oxo-3-piperidinecarboxamide
CID 24794085
5-[(5-chloro-3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-1-[3-(4-morpholinyl)propyl]-2-piperidinone
CID 24791455
4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]morpholin-3-one
CID 76684827
1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperidin-2-one
CID 90250372
1-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperidin-2-one
CID 90307294
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one
CID 75306072
[1-[[4-[[3-(Morpholine-4-carbonyl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 11755650
5-(4-Morpholinylcarbonyl)-1-[3-(trifluoromethyl)benzyl]-2-piperidinone
CID 24793024

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one (CID 24790829) is 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one is O=C1CCC(C(=O)N2CCc3ccccc3C2)CN1CCCN1CCOCC1.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one?
The InChIKey is NVPWHECXEFRFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c26-21-7-6-20(17-24(21)10-3-9-23-12-14-28-15-13-23)22(27)25-11-8-18-4-1-2-5-19(18)16-25/h1-2,4-5,20H,3,6-17H2.
What are the key properties of 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one?
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one has a molecular weight of 385.51 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one is sourced from PubChem (CID 24790829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).