1-[4-[(1,5-dimethylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;ethane

C17H37N3O — CID 171817554

IUPAC1-[4-[(1,5-dimethylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;ethane
SMILESCC.CC.CC(=O)N1CCN(CC2CC(C)N(C)C2)CC1
InChIInChI=1S/C13H25N3O.2C2H6/c1-11-8-13(9-14(11)3)10-15-4-6-16(7-5-15)12(2)17;2*1-2/h11,13H,4-10H2,1-3H3;2*1-2H3
InChIKeyPZOVZPCPCRCLFV-UHFFFAOYSA-N
MW299.50 g/mol
LogP2.54
Rot. Bonds2

About 1-[4-[(1,5-dimethylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;ethane

1-[4-[(1,5-dimethylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;ethane (PubChem CID 171817554) has the molecular formula C17H37N3O and a molecular weight of 299.50 g/mol. Its IUPAC name is 1-[4-[(1,5-dimethylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;ethane.

Molecular Properties

Compound Name1-[4-[(1,5-dimethylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;ethane
PubChem CID171817554
Molecular FormulaC17H37N3O
Molecular Weight299.50 g/mol
Exact Mass299.29
IUPAC Name1-[4-[(1,5-dimethylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;ethane
SMILESCC.CC.CC(=O)N1CCN(CC2CC(C)N(C)C2)CC1
InChIInChI=1S/C13H25N3O.2C2H6/c1-11-8-13(9-14(11)3)10-15-4-6-16(7-5-15)12(2)17;2*1-2/h11,13H,4-10H2,1-3H3;2*1-2H3
InChIKeyPZOVZPCPCRCLFV-UHFFFAOYSA-N
XLogP2.54
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]ethanone
CID 166860595
ethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 170617031
1-[4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone
CID 167190623
ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone
CID 178104636
ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 155574433
1-[3-(morpholin-4-ylmethyl)azetidin-1-yl]ethanone
CID 130138001
ethane;1-(3-methylazetidin-1-yl)ethanone
CID 143998304
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
ethane;4-(methoxymethyl)-1,2-dimethylpyrrolidine
CID 144977158
ethane;1-[4-(5-methylhexyl)piperazin-1-yl]ethanone
CID 169214701
1-[4-[(4-acetylpiperazin-1-yl)methyl]piperidin-1-yl]-2,2,3,3-tetramethylpentan-1-one;ethane
CID 177194731
1-[4-[(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperazin-1-yl]ethanone
CID 166510919

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1,5-dimethylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;ethane?
The IUPAC name of 1-[4-[(1,5-dimethylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;ethane (CID 171817554) is 1-[4-[(1,5-dimethylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;ethane.
What is the SMILES notation for 1-[4-[(1,5-dimethylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;ethane?
The canonical SMILES for 1-[4-[(1,5-dimethylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;ethane is CC.CC.CC(=O)N1CCN(CC2CC(C)N(C)C2)CC1.
What is the InChIKey of 1-[4-[(1,5-dimethylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;ethane?
The InChIKey is PZOVZPCPCRCLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.2C2H6/c1-11-8-13(9-14(11)3)10-15-4-6-16(7-5-15)12(2)17;2*1-2/h11,13H,4-10H2,1-3H3;2*1-2H3.
What are the key properties of 1-[4-[(1,5-dimethylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;ethane?
1-[4-[(1,5-dimethylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;ethane has a molecular weight of 299.50 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1,5-dimethylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;ethane is sourced from PubChem (CID 171817554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).