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

C16H23N3O — CID 62849515

IUPAC(4-ethylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
SMILESCCN1CCN(C(=O)c2cccc3c2CCCN3)CC1
InChIInChI=1S/C16H23N3O/c1-2-18-9-11-19(12-10-18)16(20)14-5-3-7-15-13(14)6-4-8-17-15/h3,5,7,17H,2,4,6,8-12H2,1H3
InChIKeyWXSNVQBDQXJRAA-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.82
Rot. Bonds2

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

(4-ethylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone (PubChem CID 62849515) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
PubChem CID62849515
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(4-ethylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
SMILESCCN1CCN(C(=O)c2cccc3c2CCCN3)CC1
InChIInChI=1S/C16H23N3O/c1-2-18-9-11-19(12-10-18)16(20)14-5-3-7-15-13(14)6-4-8-17-15/h3,5,7,17H,2,4,6,8-12H2,1H3
InChIKeyWXSNVQBDQXJRAA-UHFFFAOYSA-N
XLogP1.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849338
(4-propylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62850423
[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
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 120983084
(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
1-(1,2,3,4-tetrahydroquinolin-5-yl)hexan-1-one
CID 116610457
[2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849882

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone (CID 62849515) is (4-ethylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone is CCN1CCN(C(=O)c2cccc3c2CCCN3)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The InChIKey is WXSNVQBDQXJRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-18-9-11-19(12-10-18)16(20)14-5-3-7-15-13(14)6-4-8-17-15/h3,5,7,17H,2,4,6,8-12H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
(4-ethylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone is sourced from PubChem (CID 62849515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).