[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-morpholin-3-ylmethanone

C17H32N4O2 — CID 119869058

IUPAC[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-morpholin-3-ylmethanone
SMILESCC1CCC(C)N1CCN1CCN(C(=O)C2COCCN2)CC1
InChIInChI=1S/C17H32N4O2/c1-14-3-4-15(2)21(14)11-8-19-6-9-20(10-7-19)17(22)16-13-23-12-5-18-16/h14-16,18H,3-13H2,1-2H3
InChIKeyRCAHBZDEZSFLEJ-UHFFFAOYSA-N
MW324.47 g/mol
LogP-0.01
Rot. Bonds4

About [4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-morpholin-3-ylmethanone

[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-morpholin-3-ylmethanone (PubChem CID 119869058) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is [4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-morpholin-3-ylmethanone.

Molecular Properties

Compound Name[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-morpholin-3-ylmethanone
PubChem CID119869058
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-morpholin-3-ylmethanone
SMILESCC1CCC(C)N1CCN1CCN(C(=O)C2COCCN2)CC1
InChIInChI=1S/C17H32N4O2/c1-14-3-4-15(2)21(14)11-8-19-6-9-20(10-7-19)17(22)16-13-23-12-5-18-16/h14-16,18H,3-13H2,1-2H3
InChIKeyRCAHBZDEZSFLEJ-UHFFFAOYSA-N
XLogP-0.01
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-butyl-N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]morpholine-3-carboxamide
CID 126798478
4-butyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]morpholine-3-carboxamide
CID 154757906
Morpholin-3-yl(pyrrolidin-1-yl)methanone
CID 23053704
(4-Methylpiperazin-1-yl)-morpholin-3-ylmethanone
CID 57781873
(3R)-3-amino-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 59056721
(3R)-3-(methylamino)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 59056918
(3R)-N-cyclohexyl-4-propylmorpholine-3-carboxamide
CID 60053334
(4-ethylpiperidin-1-yl)-[(3S)-morpholin-3-yl]methanone
CID 68261234
(3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one;dihydrochloride
CID 69154387
(3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one
CID 69154388
(4-methylpiperidin-1-yl)-[(3S)-morpholin-3-yl]methanone
CID 89616581
(4-Methylmorpholin-3-yl)-piperazin-1-ylmethanone
CID 91595206

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-morpholin-3-ylmethanone?
The IUPAC name of [4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-morpholin-3-ylmethanone (CID 119869058) is [4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-morpholin-3-ylmethanone.
What is the SMILES notation for [4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-morpholin-3-ylmethanone?
The canonical SMILES for [4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-morpholin-3-ylmethanone is CC1CCC(C)N1CCN1CCN(C(=O)C2COCCN2)CC1.
What is the InChIKey of [4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-morpholin-3-ylmethanone?
The InChIKey is RCAHBZDEZSFLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-14-3-4-15(2)21(14)11-8-19-6-9-20(10-7-19)17(22)16-13-23-12-5-18-16/h14-16,18H,3-13H2,1-2H3.
What are the key properties of [4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-morpholin-3-ylmethanone?
[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-morpholin-3-ylmethanone has a molecular weight of 324.47 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-morpholin-3-ylmethanone is sourced from PubChem (CID 119869058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).