(5S)-3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one

C19H29N3O2 — CID 140837611

IUPAC(5S)-3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one
SMILESCCC1(CC)C[C@@H](CCN2CCN(c3ccccn3)CC2)OC1=O
InChIInChI=1S/C19H29N3O2/c1-3-19(4-2)15-16(24-18(19)23)8-10-21-11-13-22(14-12-21)17-7-5-6-9-20-17/h5-7,9,16H,3-4,8,10-15H2,1-2H3/t16-/m1/s1
InChIKeyBIAVCHCXYRKJMN-MRXNPFEDSA-N
MW331.46 g/mol
LogP2.72
Rot. Bonds6

About (5S)-3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one

(5S)-3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one (PubChem CID 140837611) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (5S)-3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one
PubChem CID140837611
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(5S)-3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one
SMILESCCC1(CC)C[C@@H](CCN2CCN(c3ccccn3)CC2)OC1=O
InChIInChI=1S/C19H29N3O2/c1-3-19(4-2)15-16(24-18(19)23)8-10-21-11-13-22(14-12-21)17-7-5-6-9-20-17/h5-7,9,16H,3-4,8,10-15H2,1-2H3/t16-/m1/s1
InChIKeyBIAVCHCXYRKJMN-MRXNPFEDSA-N
XLogP2.72
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5S)-3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one with MolForge

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Related Compounds

(3R)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2-oxaspiro[4.5]decan-1-one
CID 140837585
3,3-diethyl-5-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]oxolan-2-one;dihydrochloride
CID 118659715
3,3-diethyl-5-[2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]oxolan-2-one
CID 122688805
3,3-diethyl-5-[4-(4-phenylpiperazin-1-yl)butyl]oxolan-2-one
CID 162368702
(5S)-3,3-diethyl-5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxolan-2-one
CID 140837520
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
3-[2-[4-(4-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.4]nonan-1-one
CID 118946947
3-phenyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-oxazolidin-2-one
CID 19811488
(5R)-3,3-diethyl-5-[2-[(3S)-4-(4-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]oxolan-2-one
CID 167327864
(3S)-3-[2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.4]nonan-1-one
CID 140837595
3-[2-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.4]nonan-1-one
CID 86273130
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555

Frequently Asked Questions

What is the IUPAC name of (5S)-3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one?
The IUPAC name of (5S)-3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one (CID 140837611) is (5S)-3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one.
What is the SMILES notation for (5S)-3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one?
The canonical SMILES for (5S)-3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one is CCC1(CC)C[C@@H](CCN2CCN(c3ccccn3)CC2)OC1=O.
What is the InChIKey of (5S)-3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one?
The InChIKey is BIAVCHCXYRKJMN-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-19(4-2)15-16(24-18(19)23)8-10-21-11-13-22(14-12-21)17-7-5-6-9-20-17/h5-7,9,16H,3-4,8,10-15H2,1-2H3/t16-/m1/s1.
What are the key properties of (5S)-3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one?
(5S)-3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one has a molecular weight of 331.46 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one is sourced from PubChem (CID 140837611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).