(4-propoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone

C21H27N3O2 — CID 17013548

IUPAC(4-propoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
SMILESCCCOc1ccc(C(=O)N2CCN(CCc3ccccn3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-2-17-26-20-8-6-18(7-9-20)21(25)24-15-13-23(14-16-24)12-10-19-5-3-4-11-22-19/h3-9,11H,2,10,12-17H2,1H3
InChIKeyUSQHDQGJCFTNEN-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.87
Rot. Bonds7

About (4-propoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone

(4-propoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone (PubChem CID 17013548) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (4-propoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-propoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
PubChem CID17013548
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(4-propoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
SMILESCCCOc1ccc(C(=O)N2CCN(CCc3ccccn3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-2-17-26-20-8-6-18(7-9-20)21(25)24-15-13-23(14-16-24)12-10-19-5-3-4-11-22-19/h3-9,11H,2,10,12-17H2,1H3
InChIKeyUSQHDQGJCFTNEN-UHFFFAOYSA-N
XLogP2.87
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 2090123
(4-propoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 38786072
(4-propoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808477
2-(4-methoxyphenyl)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride
CID 52984539
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(4-propoxyphenyl)methanone
CID 17349258
(4-ethoxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571371
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 27846376
2-(4-nitrophenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone
CID 17013540
1-[4-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]phenyl]ethanone
CID 91843582
(4-ethylphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571378
2-pyridin-2-yl-1-[4-[4-(2,2,2-trifluoroethoxy)benzoyl]piperazin-1-yl]ethanone
CID 56521147
[4-(2-bromoethyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 80661218

Frequently Asked Questions

What is the IUPAC name of (4-propoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-propoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone (CID 17013548) is (4-propoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-propoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-propoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone is CCCOc1ccc(C(=O)N2CCN(CCc3ccccn3)CC2)cc1.
What is the InChIKey of (4-propoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone?
The InChIKey is USQHDQGJCFTNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-2-17-26-20-8-6-18(7-9-20)21(25)24-15-13-23(14-16-24)12-10-19-5-3-4-11-22-19/h3-9,11H,2,10,12-17H2,1H3.
What are the key properties of (4-propoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone?
(4-propoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone has a molecular weight of 353.47 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 17013548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).