1-morpholin-4-yl-2-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanone

C26H32N4O3 — CID 24733831

IUPAC1-morpholin-4-yl-2-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanone
SMILESO=C(CC1c2ccccc2CCN1C1CCN(C(=O)c2cccnc2)CC1)N1CCOCC1
InChIInChI=1S/C26H32N4O3/c31-25(28-14-16-33-17-15-28)18-24-23-6-2-1-4-20(23)7-13-30(24)22-8-11-29(12-9-22)26(32)21-5-3-10-27-19-21/h1-6,10,19,22,24H,7-9,11-18H2
InChIKeyNOFMOZIAGSHJBY-UHFFFAOYSA-N
MW448.57 g/mol
LogP2.53
Rot. Bonds4

About 1-morpholin-4-yl-2-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanone

1-morpholin-4-yl-2-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanone (PubChem CID 24733831) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanone
PubChem CID24733831
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name1-morpholin-4-yl-2-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanone
SMILESO=C(CC1c2ccccc2CCN1C1CCN(C(=O)c2cccnc2)CC1)N1CCOCC1
InChIInChI=1S/C26H32N4O3/c31-25(28-14-16-33-17-15-28)18-24-23-6-2-1-4-20(23)7-13-30(24)22-8-11-29(12-9-22)26(32)21-5-3-10-27-19-21/h1-6,10,19,22,24H,7-9,11-18H2
InChIKeyNOFMOZIAGSHJBY-UHFFFAOYSA-N
XLogP2.53
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-morpholin-4-yl-2-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanone with MolForge

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Related Compounds

2-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]-1-morpholin-4-ylethanone
CID 24733829
ethyl 2-[[4-[1-(2-morpholin-4-yl-2-oxoethyl)-3,4-dihydro-1H-isoquinolin-2-yl]piperidine-1-carbonyl]amino]acetate
CID 24733826
1-morpholin-4-yl-2-[1'-(pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 131642800
2-[(3aR,7S,7aS)-2-(pyridine-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone
CID 97379957
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113073695
3-methoxy-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one
CID 91925525
(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149
[(2R)-2-(2-bromophenyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 124571795
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
pyridin-3-yl-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400545
[4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 138380400

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanone (CID 24733831) is 1-morpholin-4-yl-2-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanone is O=C(CC1c2ccccc2CCN1C1CCN(C(=O)c2cccnc2)CC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanone?
The InChIKey is NOFMOZIAGSHJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c31-25(28-14-16-33-17-15-28)18-24-23-6-2-1-4-20(23)7-13-30(24)22-8-11-29(12-9-22)26(32)21-5-3-10-27-19-21/h1-6,10,19,22,24H,7-9,11-18H2.
What are the key properties of 1-morpholin-4-yl-2-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanone?
1-morpholin-4-yl-2-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanone has a molecular weight of 448.57 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanone is sourced from PubChem (CID 24733831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).