(2S)-2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

C17H32N4O2 — CID 95295952

IUPAC(2S)-2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCN(CC)CC(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1
InChIInChI=1S/C17H32N4O2/c1-4-18(5-2)14-16(22)20-12-10-19(11-13-20)15(3)17(23)21-8-6-7-9-21/h15H,4-14H2,1-3H3/t15-/m0/s1
InChIKeyYEWHTPBVFSJYFV-HNNXBMFYSA-N
MW324.47 g/mol
LogP0.48
Rot. Bonds6

About (2S)-2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

(2S)-2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 95295952) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is (2S)-2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID95295952
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name(2S)-2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCN(CC)CC(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1
InChIInChI=1S/C17H32N4O2/c1-4-18(5-2)14-16(22)20-12-10-19(11-13-20)15(3)17(23)21-8-6-7-9-21/h15H,4-14H2,1-3H3/t15-/m0/s1
InChIKeyYEWHTPBVFSJYFV-HNNXBMFYSA-N
XLogP0.48
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one with MolForge

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Related Compounds

N-ethyl-4-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-propan-2-ylpiperazine-1-carboxamide
CID 75507547
3-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-2-methylbutan-1-one
CID 120503691
2-[4-(3-aminopropanoyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 119898989
1-(azepan-1-yl)-2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]ethanone
CID 56796763
4-amino-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]pentan-1-one
CID 120565930
(2S)-2-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-4-methylpentan-1-one
CID 119875981
3-[ethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-methylpropanoic acid
CID 62853878
4-(methylamino)-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]butan-1-one
CID 119898937
2-[ethyl(2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
CID 60685851
1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone
CID 86910796
2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 63340162
4-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120565339

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2S)-2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 95295952) is (2S)-2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is CCN(CC)CC(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1.
What is the InChIKey of (2S)-2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is YEWHTPBVFSJYFV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-4-18(5-2)14-16(22)20-12-10-19(11-13-20)15(3)17(23)21-8-6-7-9-21/h15H,4-14H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
(2S)-2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 324.47 g/mol, XLogP of 0.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 95295952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).