(3,4-dipropoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

C21H33N3O3 — CID 120996429

IUPAC(3,4-dipropoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESCCCOc1ccc(C(=O)N2CCC(N3CCNCC3)C2)cc1OCCC
InChIInChI=1S/C21H33N3O3/c1-3-13-26-19-6-5-17(15-20(19)27-14-4-2)21(25)24-10-7-18(16-24)23-11-8-22-9-12-23/h5-6,15,18,22H,3-4,7-14,16H2,1-2H3
InChIKeyVQFLDQVRUWCKQN-UHFFFAOYSA-N
MW375.51 g/mol
LogP2.38
Rot. Bonds8

About (3,4-dipropoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

(3,4-dipropoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 120996429) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is (3,4-dipropoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dipropoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
PubChem CID120996429
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name(3,4-dipropoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESCCCOc1ccc(C(=O)N2CCC(N3CCNCC3)C2)cc1OCCC
InChIInChI=1S/C21H33N3O3/c1-3-13-26-19-6-5-17(15-20(19)27-14-4-2)21(25)24-10-7-18(16-24)23-11-8-22-9-12-23/h5-6,15,18,22H,3-4,7-14,16H2,1-2H3
InChIKeyVQFLDQVRUWCKQN-UHFFFAOYSA-N
XLogP2.38
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3,4-dipropoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4-dipropoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996428
methyl 2-[2-ethoxy-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenoxy]acetate
CID 120997687
(3-ethoxy-4-methylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120994361
(3-chloro-5-methoxy-4-propoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120998089
[(3R)-3-aminopyrrolidin-1-yl]-(3-ethoxy-4-propoxyphenyl)methanone
CID 119412089
3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propylbenzamide
CID 120996709
(3,4-dipropoxyphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472994
[2-(2-methoxyethoxy)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994646
(3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994448
[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996957
(3-ethylsulfonylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995192
(3-piperazin-1-ylpyrrolidin-1-yl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone;hydrochloride
CID 120994357

Frequently Asked Questions

What is the IUPAC name of (3,4-dipropoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (3,4-dipropoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (CID 120996429) is (3,4-dipropoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3,4-dipropoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3,4-dipropoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is CCCOc1ccc(C(=O)N2CCC(N3CCNCC3)C2)cc1OCCC.
What is the InChIKey of (3,4-dipropoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is VQFLDQVRUWCKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-3-13-26-19-6-5-17(15-20(19)27-14-4-2)21(25)24-10-7-18(16-24)23-11-8-22-9-12-23/h5-6,15,18,22H,3-4,7-14,16H2,1-2H3.
What are the key properties of (3,4-dipropoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
(3,4-dipropoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 375.51 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dipropoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 120996429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).