1,3,5,6-tetramethyl-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one

C15H26N2O4 — CID 126832485

IUPAC1,3,5,6-tetramethyl-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one
SMILESCC1C(C)N(C(=O)COCC2CCCO2)C(C)C(=O)N1C
InChIInChI=1S/C15H26N2O4/c1-10-11(2)17(12(3)15(19)16(10)4)14(18)9-20-8-13-6-5-7-21-13/h10-13H,5-9H2,1-4H3
InChIKeyKHTPUBLDRFCPHX-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.65
Rot. Bonds4

About 1,3,5,6-tetramethyl-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one

1,3,5,6-tetramethyl-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one (PubChem CID 126832485) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1,3,5,6-tetramethyl-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one.

Molecular Properties

Compound Name1,3,5,6-tetramethyl-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one
PubChem CID126832485
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1,3,5,6-tetramethyl-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one
SMILESCC1C(C)N(C(=O)COCC2CCCO2)C(C)C(=O)N1C
InChIInChI=1S/C15H26N2O4/c1-10-11(2)17(12(3)15(19)16(10)4)14(18)9-20-8-13-6-5-7-21-13/h10-13H,5-9H2,1-4H3
InChIKeyKHTPUBLDRFCPHX-UHFFFAOYSA-N
XLogP0.65
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
ethyl 2-[[(2R)-oxolan-2-yl]methoxy]acetate
CID 28940137
2-methyl-9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97142931
4-ethyl-2-methyl-5-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1,2,4-triazol-3-one
CID 56710278
(3S)-4-[2-[[(2S)-oxolan-2-yl]methoxy]acetyl]morpholine-3-carboxylic acid
CID 125152966
1-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 99615375
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 95290908
2-(oxolan-2-ylmethoxy)-N-propan-2-ylacetamide
CID 129257455
1-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 98314112
1-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 97128511
1-[4-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 92622482
1-[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 97096911

Frequently Asked Questions

What is the IUPAC name of 1,3,5,6-tetramethyl-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one?
The IUPAC name of 1,3,5,6-tetramethyl-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one (CID 126832485) is 1,3,5,6-tetramethyl-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one.
What is the SMILES notation for 1,3,5,6-tetramethyl-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one?
The canonical SMILES for 1,3,5,6-tetramethyl-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one is CC1C(C)N(C(=O)COCC2CCCO2)C(C)C(=O)N1C.
What is the InChIKey of 1,3,5,6-tetramethyl-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one?
The InChIKey is KHTPUBLDRFCPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10-11(2)17(12(3)15(19)16(10)4)14(18)9-20-8-13-6-5-7-21-13/h10-13H,5-9H2,1-4H3.
What are the key properties of 1,3,5,6-tetramethyl-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one?
1,3,5,6-tetramethyl-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one has a molecular weight of 298.38 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,6-tetramethyl-4-[2-(oxolan-2-ylmethoxy)acetyl]piperazin-2-one is sourced from PubChem (CID 126832485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).