(3-ethyl-4-methylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone

C15H29N3O — CID 106980687

IUPAC(3-ethyl-4-methylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCCC1CN(C(=O)C2(C(C)C)CCNC2)CCN1C
InChIInChI=1S/C15H29N3O/c1-5-13-10-18(9-8-17(13)4)14(19)15(12(2)3)6-7-16-11-15/h12-13,16H,5-11H2,1-4H3
InChIKeyDWVINUGQEFCAFW-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.17
Rot. Bonds3

About (3-ethyl-4-methylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone

(3-ethyl-4-methylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (PubChem CID 106980687) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is (3-ethyl-4-methylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-4-methylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
PubChem CID106980687
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name(3-ethyl-4-methylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCCC1CN(C(=O)C2(C(C)C)CCNC2)CCN1C
InChIInChI=1S/C15H29N3O/c1-5-13-10-18(9-8-17(13)4)14(19)15(12(2)3)6-7-16-11-15/h12-13,16H,5-11H2,1-4H3
InChIKeyDWVINUGQEFCAFW-UHFFFAOYSA-N
XLogP1.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-ethyl-4-methylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-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-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981172
(3-hydroxypyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980620
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981004
(3,4-dimethylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980906
(4-butan-2-ylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980599
(4-ethyl-4-methylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980650
(4-methyl-1,4-diazepan-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106979625
(4-hydroxy-3-methylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981349
(3-propan-2-ylpyrrolidin-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 106980335
(3R)-1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 106981005
2-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid
CID 106980595
(3,4-dimethoxypyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981410

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-methylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The IUPAC name of (3-ethyl-4-methylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (CID 106980687) is (3-ethyl-4-methylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (3-ethyl-4-methylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The canonical SMILES for (3-ethyl-4-methylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone is CCC1CN(C(=O)C2(C(C)C)CCNC2)CCN1C.
What is the InChIKey of (3-ethyl-4-methylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The InChIKey is DWVINUGQEFCAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-5-13-10-18(9-8-17(13)4)14(19)15(12(2)3)6-7-16-11-15/h12-13,16H,5-11H2,1-4H3.
What are the key properties of (3-ethyl-4-methylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
(3-ethyl-4-methylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone has a molecular weight of 267.42 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-methylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 106980687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).