2-[4-(3-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone

C22H33N3O4 — CID 55376290

IUPAC2-[4-(3-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCCCOc1ccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1OCC
InChIInChI=1S/C22H33N3O4/c1-3-15-29-19-8-7-18(16-20(19)28-4-2)22(27)25-13-11-23(12-14-25)17-21(26)24-9-5-6-10-24/h7-8,16H,3-6,9-15,17H2,1-2H3
InChIKeyAZKOPPBBJQTFOW-UHFFFAOYSA-N
MW403.52 g/mol
LogP2.25
Rot. Bonds8

About 2-[4-(3-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-(3-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 55376290) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is 2-[4-(3-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(3-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID55376290
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC Name2-[4-(3-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCCCOc1ccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1OCC
InChIInChI=1S/C22H33N3O4/c1-3-15-29-19-8-7-18(16-20(19)28-4-2)22(27)25-13-11-23(12-14-25)17-21(26)24-9-5-6-10-24/h7-8,16H,3-6,9-15,17H2,1-2H3
InChIKeyAZKOPPBBJQTFOW-UHFFFAOYSA-N
XLogP2.25
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440122
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
(3S)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-3-carboxylic acid
CID 119113504
(3-ethoxy-4-propoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491736
1-[4-(4-ethoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]pentan-1-one
CID 110806705
1-[4-(4-hexoxy-3-methoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496456
[1-(3-ethoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473149
(4-butoxy-3-ethoxyphenyl)-morpholin-4-ylmethanone
CID 112762921
2-[4-[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 17454779
[(3R)-3-aminopyrrolidin-1-yl]-(3-ethoxy-4-propoxyphenyl)methanone
CID 119412089
(3,4-diethoxyphenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19323344
(3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone
CID 95970604

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-(3-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone (CID 55376290) is 2-[4-(3-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-(3-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-(3-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone is CCCOc1ccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1OCC.
What is the InChIKey of 2-[4-(3-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is AZKOPPBBJQTFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-3-15-29-19-8-7-18(16-20(19)28-4-2)22(27)25-13-11-23(12-14-25)17-21(26)24-9-5-6-10-24/h7-8,16H,3-6,9-15,17H2,1-2H3.
What are the key properties of 2-[4-(3-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-(3-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 403.52 g/mol, XLogP of 2.25, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 55376290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).