[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone

C18H25N3O4 — CID 119282011

IUPAC[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)C3CCCN3)CC2)c1
InChIInChI=1S/C18H25N3O4/c1-24-14-10-13(11-15(12-14)25-2)17(22)20-6-8-21(9-7-20)18(23)16-4-3-5-19-16/h10-12,16,19H,3-9H2,1-2H3
InChIKeyZQEFPIILWGHTCM-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.74
Rot. Bonds4

About [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone

[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone (PubChem CID 119282011) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
PubChem CID119282011
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)C3CCCN3)CC2)c1
InChIInChI=1S/C18H25N3O4/c1-24-14-10-13(11-15(12-14)25-2)17(22)20-6-8-21(9-7-20)18(23)16-4-3-5-19-16/h10-12,16,19H,3-9H2,1-2H3
InChIKeyZQEFPIILWGHTCM-UHFFFAOYSA-N
XLogP0.74
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-methoxybenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119281944
(3,5-dimethoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152981
2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975160
(E)-1-(4-methoxyphenyl)-4-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]but-2-ene-1,4-dione;hydrochloride
CID 167764036
[(2S)-pyrrolidin-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119298898
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119294607
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
(4-tert-butylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61430596
(4-tert-butylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103814108
4-methoxy-N-[2-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethyl]benzamide;hydrochloride
CID 122081559
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 119313382

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone?
The IUPAC name of [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone (CID 119282011) is [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone.
What is the SMILES notation for [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone?
The canonical SMILES for [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone is COc1cc(OC)cc(C(=O)N2CCN(C(=O)C3CCCN3)CC2)c1.
What is the InChIKey of [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone?
The InChIKey is ZQEFPIILWGHTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-24-14-10-13(11-15(12-14)25-2)17(22)20-6-8-21(9-7-20)18(23)16-4-3-5-19-16/h10-12,16,19H,3-9H2,1-2H3.
What are the key properties of [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone?
[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone has a molecular weight of 347.42 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 119282011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).