(4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone

C17H25N3O — CID 62849338

IUPAC(4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
SMILESCCCN1CCN(C(=O)c2cccc3c2CCCN3)CC1
InChIInChI=1S/C17H25N3O/c1-2-9-19-10-12-20(13-11-19)17(21)15-5-3-7-16-14(15)6-4-8-18-16/h3,5,7,18H,2,4,6,8-13H2,1H3
InChIKeyTXPPHQCHWXKXDD-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.21
Rot. Bonds3

About (4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone

(4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone (PubChem CID 62849338) 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-tetrahydroquinolin-5-yl)methanone.

Molecular Properties

Compound Name(4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
PubChem CID62849338
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
SMILESCCCN1CCN(C(=O)c2cccc3c2CCCN3)CC1
InChIInChI=1S/C17H25N3O/c1-2-9-19-10-12-20(13-11-19)17(21)15-5-3-7-16-14(15)6-4-8-18-16/h3,5,7,18H,2,4,6,8-13H2,1H3
InChIKeyTXPPHQCHWXKXDD-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-ethylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849515
(4-propylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62850423
(4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 62213645
[4-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 63978245
(1,1-dioxo-1,4-thiazepan-4-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 104954785
(3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 55126550
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 103355979
1,3-dihydroisoindol-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62850424
[(3R)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 107217199
(2,6-dimethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62850768
(2-methyl-1,4-oxazepan-4-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62973493
N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127073

Frequently Asked Questions

What is the IUPAC name of (4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The IUPAC name of (4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone (CID 62849338) is (4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone.
What is the SMILES notation for (4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The canonical SMILES for (4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone is CCCN1CCN(C(=O)c2cccc3c2CCCN3)CC1.
What is the InChIKey of (4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The InChIKey is TXPPHQCHWXKXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-9-19-10-12-20(13-11-19)17(21)15-5-3-7-16-14(15)6-4-8-18-16/h3,5,7,18H,2,4,6,8-13H2,1H3.
What are the key properties of (4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
(4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone has a molecular weight of 287.41 g/mol, XLogP of 2.21, 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-tetrahydroquinolin-5-yl)methanone is sourced from PubChem (CID 62849338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).