2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide

C17H34N4O — CID 131926271

IUPAC2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
SMILESCCN1CCN(CC(=O)N(C)CC2CCN(C(C)C)C2)CC1
InChIInChI=1S/C17H34N4O/c1-5-19-8-10-20(11-9-19)14-17(22)18(4)12-16-6-7-21(13-16)15(2)3/h15-16H,5-14H2,1-4H3
InChIKeyHEKOHCXUPDFXKI-UHFFFAOYSA-N
MW310.49 g/mol
LogP0.81
Rot. Bonds6

About 2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide

2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide (PubChem CID 131926271) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
PubChem CID131926271
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
SMILESCCN1CCN(CC(=O)N(C)CC2CCN(C(C)C)C2)CC1
InChIInChI=1S/C17H34N4O/c1-5-19-8-10-20(11-9-19)14-17(22)18(4)12-16-6-7-21(13-16)15(2)3/h15-16H,5-14H2,1-4H3
InChIKeyHEKOHCXUPDFXKI-UHFFFAOYSA-N
XLogP0.81
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine
CID 170266000
ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylpropanamide
CID 163401097
1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
CID 171094387
(4-ethylpiperazin-1-yl)-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone
CID 170184818
1-[4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone
CID 167190623
N-(3-chloro-4-methylphenyl)-N'-methyl-N'-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanediamide
CID 50957798
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 87016849
2-fluoro-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]ethanamine
CID 168724519
1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]butan-2-one
CID 176575948
2-methyl-1-[4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 170613851
1-(3-ethylpyrrolidin-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 176984404

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide (CID 131926271) is 2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide is CCN1CCN(CC(=O)N(C)CC2CCN(C(C)C)C2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide?
The InChIKey is HEKOHCXUPDFXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O/c1-5-19-8-10-20(11-9-19)14-17(22)18(4)12-16-6-7-21(13-16)15(2)3/h15-16H,5-14H2,1-4H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide?
2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide has a molecular weight of 310.49 g/mol, XLogP of 0.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 131926271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).