(6R)-1-(3-methoxyphenyl)-6-methyl-4-[(3R)-oxolane-3-carbonyl]piperazin-2-one

C17H22N2O4 — CID 25306547

IUPAC(6R)-1-(3-methoxyphenyl)-6-methyl-4-[(3R)-oxolane-3-carbonyl]piperazin-2-one
SMILESCOc1cccc(N2C(=O)CN(C(=O)[C@@H]3CCOC3)C[C@H]2C)c1
InChIInChI=1S/C17H22N2O4/c1-12-9-18(17(21)13-6-7-23-11-13)10-16(20)19(12)14-4-3-5-15(8-14)22-2/h3-5,8,12-13H,6-7,9-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyQQKMTMCEWMQNEF-CHWSQXEVSA-N
MW318.37 g/mol
LogP1.30
Rot. Bonds3

About (6R)-1-(3-methoxyphenyl)-6-methyl-4-[(3R)-oxolane-3-carbonyl]piperazin-2-one

(6R)-1-(3-methoxyphenyl)-6-methyl-4-[(3R)-oxolane-3-carbonyl]piperazin-2-one (PubChem CID 25306547) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is (6R)-1-(3-methoxyphenyl)-6-methyl-4-[(3R)-oxolane-3-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name(6R)-1-(3-methoxyphenyl)-6-methyl-4-[(3R)-oxolane-3-carbonyl]piperazin-2-one
PubChem CID25306547
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name(6R)-1-(3-methoxyphenyl)-6-methyl-4-[(3R)-oxolane-3-carbonyl]piperazin-2-one
SMILESCOc1cccc(N2C(=O)CN(C(=O)[C@@H]3CCOC3)C[C@H]2C)c1
InChIInChI=1S/C17H22N2O4/c1-12-9-18(17(21)13-6-7-23-11-13)10-16(20)19(12)14-4-3-5-15(8-14)22-2/h3-5,8,12-13H,6-7,9-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyQQKMTMCEWMQNEF-CHWSQXEVSA-N
XLogP1.30
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6R)-1-(3-methoxyphenyl)-6-methyl-4-[(3R)-oxolane-3-carbonyl]piperazin-2-one with MolForge

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Related Compounds

(6S)-1-(3-methoxyphenyl)-6-methyl-4-(oxane-4-carbonyl)piperazin-2-one
CID 42371325
1-(3-methoxyphenyl)-6-methyl-4-(oxane-4-carbonyl)piperazin-2-one
CID 45199411
1-[(3-methoxyphenyl)methyl]-4-(oxolane-3-carbonyl)piperazin-2-one
CID 118771406
methyl 5-[(3S)-4-(3-methoxyphenyl)-3-methyl-5-oxopiperazin-1-yl]-5-oxopentanoate
CID 26401829
(6S)-4-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one
CID 26325845
(6R)-4-(cyclopropylmethyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one
CID 42330751
(6S)-4-(cyclopropylmethyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one
CID 42330746
(6R)-4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one
CID 125173408
(4R)-1-(3-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9375968
(6R)-1-(3-methoxyphenyl)-6-methyl-4-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]piperazin-2-one
CID 42429759
[1-(3-methoxyphenyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 11573068
3-[2-[(3S)-4-(3-methoxyphenyl)-3-methyl-5-oxopiperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 42425075

Frequently Asked Questions

What is the IUPAC name of (6R)-1-(3-methoxyphenyl)-6-methyl-4-[(3R)-oxolane-3-carbonyl]piperazin-2-one?
The IUPAC name of (6R)-1-(3-methoxyphenyl)-6-methyl-4-[(3R)-oxolane-3-carbonyl]piperazin-2-one (CID 25306547) is (6R)-1-(3-methoxyphenyl)-6-methyl-4-[(3R)-oxolane-3-carbonyl]piperazin-2-one.
What is the SMILES notation for (6R)-1-(3-methoxyphenyl)-6-methyl-4-[(3R)-oxolane-3-carbonyl]piperazin-2-one?
The canonical SMILES for (6R)-1-(3-methoxyphenyl)-6-methyl-4-[(3R)-oxolane-3-carbonyl]piperazin-2-one is COc1cccc(N2C(=O)CN(C(=O)[C@@H]3CCOC3)C[C@H]2C)c1.
What is the InChIKey of (6R)-1-(3-methoxyphenyl)-6-methyl-4-[(3R)-oxolane-3-carbonyl]piperazin-2-one?
The InChIKey is QQKMTMCEWMQNEF-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-12-9-18(17(21)13-6-7-23-11-13)10-16(20)19(12)14-4-3-5-15(8-14)22-2/h3-5,8,12-13H,6-7,9-11H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (6R)-1-(3-methoxyphenyl)-6-methyl-4-[(3R)-oxolane-3-carbonyl]piperazin-2-one?
(6R)-1-(3-methoxyphenyl)-6-methyl-4-[(3R)-oxolane-3-carbonyl]piperazin-2-one has a molecular weight of 318.37 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-(3-methoxyphenyl)-6-methyl-4-[(3R)-oxolane-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 25306547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).