[4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone

C20H31N3O2 — CID 138045601

IUPAC[4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
SMILESCCCC1CN(C(=O)c2ccc3c(c2)CCCN3)CCN1CCOC
InChIInChI=1S/C20H31N3O2/c1-3-5-18-15-23(11-10-22(18)12-13-25-2)20(24)17-7-8-19-16(14-17)6-4-9-21-19/h7-8,14,18,21H,3-6,9-13,15H2,1-2H3
InChIKeyHFSWUNJFTBILKI-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.62
Rot. Bonds6

About [4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone

[4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone (PubChem CID 138045601) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is [4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
PubChem CID138045601
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name[4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
SMILESCCCC1CN(C(=O)c2ccc3c(c2)CCCN3)CCN1CCOC
InChIInChI=1S/C20H31N3O2/c1-3-5-18-15-23(11-10-22(18)12-13-25-2)20(24)17-7-8-19-16(14-17)6-4-9-21-19/h7-8,14,18,21H,3-6,9-13,15H2,1-2H3
InChIKeyHFSWUNJFTBILKI-UHFFFAOYSA-N
XLogP2.62
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone with MolForge

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Related Compounds

(2-propylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 83052849
[3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 106586843
(3-methoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 103533020
[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 114409872
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 107218755
N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325638
1-[4-(2,3-dihydro-1H-indole-5-carbonyl)piperazin-1-yl]ethanone
CID 60893291
butyl 1,2,3,4-tetrahydroquinoline-6-carboxylate
CID 43267445
N-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 83015501
2,3-dihydro-1H-indol-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63166948
2-(2-methoxyethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257753
2,3-dihydro-1H-indol-5-yl-(2-ethylpyrrolidin-1-yl)methanone
CID 54886081

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
The IUPAC name of [4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone (CID 138045601) is [4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone.
What is the SMILES notation for [4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
The canonical SMILES for [4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone is CCCC1CN(C(=O)c2ccc3c(c2)CCCN3)CCN1CCOC.
What is the InChIKey of [4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
The InChIKey is HFSWUNJFTBILKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-3-5-18-15-23(11-10-22(18)12-13-25-2)20(24)17-7-8-19-16(14-17)6-4-9-21-19/h7-8,14,18,21H,3-6,9-13,15H2,1-2H3.
What are the key properties of [4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
[4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone has a molecular weight of 345.49 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone is sourced from PubChem (CID 138045601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).