2-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]-1-morpholin-4-ylethanone

C27H32FN3O3 — CID 24733829

IUPAC2-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CC1c2ccccc2CCN1C1CCN(C(=O)c2ccc(F)cc2)CC1)N1CCOCC1
InChIInChI=1S/C27H32FN3O3/c28-22-7-5-21(6-8-22)27(33)30-12-10-23(11-13-30)31-14-9-20-3-1-2-4-24(20)25(31)19-26(32)29-15-17-34-18-16-29/h1-8,23,25H,9-19H2
InChIKeyNLSPYBMIHSAMPW-UHFFFAOYSA-N
MW465.57 g/mol
LogP3.28
Rot. Bonds4

About 2-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]-1-morpholin-4-ylethanone

2-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 24733829) has the molecular formula C27H32FN3O3 and a molecular weight of 465.57 g/mol. Its IUPAC name is 2-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]-1-morpholin-4-ylethanone
PubChem CID24733829
Molecular FormulaC27H32FN3O3
Molecular Weight465.57 g/mol
Exact Mass465.24
IUPAC Name2-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CC1c2ccccc2CCN1C1CCN(C(=O)c2ccc(F)cc2)CC1)N1CCOCC1
InChIInChI=1S/C27H32FN3O3/c28-22-7-5-21(6-8-22)27(33)30-12-10-23(11-13-30)31-14-9-20-3-1-2-4-24(20)25(31)19-26(32)29-15-17-34-18-16-29/h1-8,23,25H,9-19H2
InChIKeyNLSPYBMIHSAMPW-UHFFFAOYSA-N
XLogP3.28
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

1-morpholin-4-yl-2-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanone
CID 24733831
ethyl 2-[[4-[1-(2-morpholin-4-yl-2-oxoethyl)-3,4-dihydro-1H-isoquinolin-2-yl]piperidine-1-carbonyl]amino]acetate
CID 24733826
2-[(3S,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 162966907
(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62060048
4-(2,3-dihydro-1H-inden-2-yl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one
CID 74229773
1-(4-fluorophenyl)-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone
CID 132503091
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 134044511
2-(oxan-4-yl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 63934827
2-(2,3-dihydro-1H-inden-1-ylamino)-1-morpholin-4-ylethanone
CID 43411223
4-[1-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]morpholin-3-one
CID 134797710
(4-fluorophenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 17369235
1-morpholin-4-yl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfinyl)propan-1-one
CID 10156817

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]-1-morpholin-4-ylethanone (CID 24733829) is 2-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]-1-morpholin-4-ylethanone is O=C(CC1c2ccccc2CCN1C1CCN(C(=O)c2ccc(F)cc2)CC1)N1CCOCC1.
What is the InChIKey of 2-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is NLSPYBMIHSAMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O3/c28-22-7-5-21(6-8-22)27(33)30-12-10-23(11-13-30)31-14-9-20-3-1-2-4-24(20)25(31)19-26(32)29-15-17-34-18-16-29/h1-8,23,25H,9-19H2.
What are the key properties of 2-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]-1-morpholin-4-ylethanone?
2-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 465.57 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 24733829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).