(4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone

C17H25N3O — CID 65260455

IUPAC(4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
SMILESCCCN1CCN(C(=O)C2CNCc3ccccc32)CC1
InChIInChI=1S/C17H25N3O/c1-2-7-19-8-10-20(11-9-19)17(21)16-13-18-12-14-5-3-4-6-15(14)16/h3-6,16,18H,2,7-13H2,1H3
InChIKeyDETCDFSMIALUTR-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.43
Rot. Bonds3

About (4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone

(4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone (PubChem CID 65260455) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone.

Molecular Properties

Compound Name(4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
PubChem CID65260455
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
SMILESCCCN1CCN(C(=O)C2CNCc3ccccc32)CC1
InChIInChI=1S/C17H25N3O/c1-2-7-19-8-10-20(11-9-19)17(21)16-13-18-12-14-5-3-4-6-15(14)16/h3-6,16,18H,2,7-13H2,1H3
InChIKeyDETCDFSMIALUTR-UHFFFAOYSA-N
XLogP1.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 113241095
4-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65262220
piperidin-1-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65260359
(1-oxo-1,4-thiazinan-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65262107
(1,1-dioxo-1,4-thiazinan-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65260608
(3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65262533
(4,4-dimethylazepan-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65281483
3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 82584257
[(3S)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 107217468
1-(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)-1,4-diazepan-5-one
CID 65262352
(4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 114678463
3-[4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)piperazin-1-yl]propanoic acid
CID 66396669

Frequently Asked Questions

What is the IUPAC name of (4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone?
The IUPAC name of (4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone (CID 65260455) is (4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone.
What is the SMILES notation for (4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone?
The canonical SMILES for (4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone is CCCN1CCN(C(=O)C2CNCc3ccccc32)CC1.
What is the InChIKey of (4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone?
The InChIKey is DETCDFSMIALUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-7-19-8-10-20(11-9-19)17(21)16-13-18-12-14-5-3-4-6-15(14)16/h3-6,16,18H,2,7-13H2,1H3.
What are the key properties of (4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone?
(4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone has a molecular weight of 287.41 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone is sourced from PubChem (CID 65260455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).