1-[3-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]propyl]pyrrolidin-2-one

C16H31N3O2 — CID 124736823

IUPAC1-[3-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]propyl]pyrrolidin-2-one
SMILESCCOCCN1CCN(CCCN2CCCC2=O)C[C@H]1C
InChIInChI=1S/C16H31N3O2/c1-3-21-13-12-18-11-10-17(14-15(18)2)7-5-9-19-8-4-6-16(19)20/h15H,3-14H2,1-2H3/t15-/m1/s1
InChIKeyPDPMZOJXUUQDAN-OAHLLOKOSA-N
MW297.44 g/mol
LogP1.04
Rot. Bonds8

About 1-[3-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]propyl]pyrrolidin-2-one

1-[3-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]propyl]pyrrolidin-2-one (PubChem CID 124736823) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-[3-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]propyl]pyrrolidin-2-one
PubChem CID124736823
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-[3-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]propyl]pyrrolidin-2-one
SMILESCCOCCN1CCN(CCCN2CCCC2=O)C[C@H]1C
InChIInChI=1S/C16H31N3O2/c1-3-21-13-12-18-11-10-17(14-15(18)2)7-5-9-19-8-4-6-16(19)20/h15H,3-14H2,1-2H3/t15-/m1/s1
InChIKeyPDPMZOJXUUQDAN-OAHLLOKOSA-N
XLogP1.04
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 124780397
(2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazine
CID 124826688
(2R)-4-(cyclopentylmethyl)-1-(2-ethoxyethyl)-2-methylpiperazine
CID 124778699
3-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 95347534
1-[3-[(3R)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 98761301
(2R)-1-(2-ethoxyethyl)-4-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine
CID 124737287
3-ethoxy-N-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 63619832
1-[4-[3-(2-oxopyrrolidin-1-yl)propoxy]butyl]pyrrolidin-2-one
CID 67634239
1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]propyl]azepan-2-one
CID 67625232
diethyl 3-(2-oxopyrrolidin-1-yl)propyl phosphite
CID 13204167
(2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-(3-methylphenoxy)ethyl]piperazine
CID 124780364
2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 124840360

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]propyl]pyrrolidin-2-one (CID 124736823) is 1-[3-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]propyl]pyrrolidin-2-one is CCOCCN1CCN(CCCN2CCCC2=O)C[C@H]1C.
What is the InChIKey of 1-[3-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]propyl]pyrrolidin-2-one?
The InChIKey is PDPMZOJXUUQDAN-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-3-21-13-12-18-11-10-17(14-15(18)2)7-5-9-19-8-4-6-16(19)20/h15H,3-14H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[3-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]propyl]pyrrolidin-2-one?
1-[3-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]propyl]pyrrolidin-2-one has a molecular weight of 297.44 g/mol, XLogP of 1.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 124736823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).