[4-(2,3-diethylbenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone

C20H29N3O2 — CID 142475066

IUPAC[4-(2,3-diethylbenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
SMILESCCc1cccc(C(=O)N2CCN(C(=O)C3CCCN3)CC2)c1CC
InChIInChI=1S/C20H29N3O2/c1-3-15-7-5-8-17(16(15)4-2)19(24)22-11-13-23(14-12-22)20(25)18-9-6-10-21-18/h5,7-8,18,21H,3-4,6,9-14H2,1-2H3
InChIKeyLPXWDOVTGYJJKH-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.85
Rot. Bonds4

About [4-(2,3-diethylbenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone

[4-(2,3-diethylbenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone (PubChem CID 142475066) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is [4-(2,3-diethylbenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name[4-(2,3-diethylbenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
PubChem CID142475066
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name[4-(2,3-diethylbenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
SMILESCCc1cccc(C(=O)N2CCN(C(=O)C3CCCN3)CC2)c1CC
InChIInChI=1S/C20H29N3O2/c1-3-15-7-5-8-17(16(15)4-2)19(24)22-11-13-23(14-12-22)20(25)18-9-6-10-21-18/h5,7-8,18,21H,3-4,6,9-14H2,1-2H3
InChIKeyLPXWDOVTGYJJKH-UHFFFAOYSA-N
XLogP1.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119294607
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 119287866
2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
CID 119311728
2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119311727
methyl 4-(2,3-diethylbenzoyl)piperazine-1-carboxylate
CID 142475096
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119278786
1-[4-[(2S)-pyrrolidine-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 55002826
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-piperidin-2-ylmethanone
CID 119278778
(4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119032238
2-(4-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
CID 119314457
[4-(3-chlorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119278834
[4-(3-fluorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119282032

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-diethylbenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone?
The IUPAC name of [4-(2,3-diethylbenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone (CID 142475066) is [4-(2,3-diethylbenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone.
What is the SMILES notation for [4-(2,3-diethylbenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone?
The canonical SMILES for [4-(2,3-diethylbenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone is CCc1cccc(C(=O)N2CCN(C(=O)C3CCCN3)CC2)c1CC.
What is the InChIKey of [4-(2,3-diethylbenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone?
The InChIKey is LPXWDOVTGYJJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-3-15-7-5-8-17(16(15)4-2)19(24)22-11-13-23(14-12-22)20(25)18-9-6-10-21-18/h5,7-8,18,21H,3-4,6,9-14H2,1-2H3.
What are the key properties of [4-(2,3-diethylbenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone?
[4-(2,3-diethylbenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone has a molecular weight of 343.47 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-diethylbenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 142475066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).