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

C20H29N3O2 — CID 70726575

IUPAC1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-2-morpholin-2-ylethanone
SMILESO=C(CC1CNCCO1)N1CCC(N2CCc3ccccc3C2)CC1
InChIInChI=1S/C20H29N3O2/c24-20(13-19-14-21-8-12-25-19)22-10-6-18(7-11-22)23-9-5-16-3-1-2-4-17(16)15-23/h1-4,18-19,21H,5-15H2
InChIKeyIHZCSWFSEHLNJA-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.41
Rot. Bonds3

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

1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-2-morpholin-2-ylethanone (PubChem CID 70726575) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-2-morpholin-2-ylethanone.

Molecular Properties

Compound Name1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-2-morpholin-2-ylethanone
PubChem CID70726575
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-2-morpholin-2-ylethanone
SMILESO=C(CC1CNCCO1)N1CCC(N2CCc3ccccc3C2)CC1
InChIInChI=1S/C20H29N3O2/c24-20(13-19-14-21-8-12-25-19)22-10-6-18(7-11-22)23-9-5-16-3-1-2-4-17(16)15-23/h1-4,18-19,21H,5-15H2
InChIKeyIHZCSWFSEHLNJA-UHFFFAOYSA-N
XLogP1.41
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3S)-2-[2-[(2R)-morpholin-2-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 125119699
(3R)-2-[2-[(2R)-morpholin-2-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 125119701
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-2-methylsulfonylethanone
CID 154736449
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]ethanone
CID 119103450
1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-morpholin-2-ylethanone
CID 70786895
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one
CID 56889883
1-(azepan-1-yl)-2-morpholin-2-ylethanone
CID 66433560
1-cyclopropyl-4-(2-morpholin-2-ylacetyl)piperazin-2-one
CID 119788577
2-cyclopropyl-1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]ethanone
CID 121153583
1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-morpholin-2-ylethanone
CID 66434915
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-morpholin-2-ylethanone
CID 107217362
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-morpholin-2-ylethanone
CID 66428289

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-2-morpholin-2-ylethanone?
The IUPAC name of 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-2-morpholin-2-ylethanone (CID 70726575) is 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-2-morpholin-2-ylethanone.
What is the SMILES notation for 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-2-morpholin-2-ylethanone?
The canonical SMILES for 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-2-morpholin-2-ylethanone is O=C(CC1CNCCO1)N1CCC(N2CCc3ccccc3C2)CC1.
What is the InChIKey of 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-2-morpholin-2-ylethanone?
The InChIKey is IHZCSWFSEHLNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-20(13-19-14-21-8-12-25-19)22-10-6-18(7-11-22)23-9-5-16-3-1-2-4-17(16)15-23/h1-4,18-19,21H,5-15H2.
What are the key properties of 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-2-morpholin-2-ylethanone?
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-2-morpholin-2-ylethanone has a molecular weight of 343.47 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-2-morpholin-2-ylethanone is sourced from PubChem (CID 70726575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).