4-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-(2-methoxyphenyl)piperazin-2-one

C19H28N2O3 — CID 126434003

IUPAC4-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-(2-methoxyphenyl)piperazin-2-one
SMILESCOc1ccccc1N1CCN(C[C@@H]2CCOC(C)(C)C2)CC1=O
InChIInChI=1S/C19H28N2O3/c1-19(2)12-15(8-11-24-19)13-20-9-10-21(18(22)14-20)16-6-4-5-7-17(16)23-3/h4-7,15H,8-14H2,1-3H3/t15-/m1/s1
InChIKeyJUBZXXYIFZYFRL-OAHLLOKOSA-N
MW332.44 g/mol
LogP2.55
Rot. Bonds4

About 4-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-(2-methoxyphenyl)piperazin-2-one

4-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-(2-methoxyphenyl)piperazin-2-one (PubChem CID 126434003) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 4-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-(2-methoxyphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-(2-methoxyphenyl)piperazin-2-one
PubChem CID126434003
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name4-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-(2-methoxyphenyl)piperazin-2-one
SMILESCOc1ccccc1N1CCN(C[C@@H]2CCOC(C)(C)C2)CC1=O
InChIInChI=1S/C19H28N2O3/c1-19(2)12-15(8-11-24-19)13-20-9-10-21(18(22)14-20)16-6-4-5-7-17(16)23-3/h4-7,15H,8-14H2,1-3H3/t15-/m1/s1
InChIKeyJUBZXXYIFZYFRL-OAHLLOKOSA-N
XLogP2.55
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,2-dimethyloxan-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 56916300
1'-[(2,2-dimethyloxan-4-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70736582
[4-[[(4S)-2,2-dimethyloxan-4-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 95718703
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine-2,3-dione
CID 146074768
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one
CID 119072779
7,16-bis(2-methoxyphenyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 11016587
1-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 95707891
4-(2-methoxyphenyl)-2-methyl-5-oxomorpholine-2-carboxylic acid
CID 115068184
4-[3-(3,5-dimethylpyrazolidin-4-yl)propanoyl]-1-(2-methoxyphenyl)piperazin-2-one
CID 134064007
4-(2-ethoxyacetyl)-1-(2-methoxyphenyl)piperazin-2-one
CID 70778425
1-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)propanoyl]piperazin-2-one
CID 70726432

Frequently Asked Questions

What is the IUPAC name of 4-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-(2-methoxyphenyl)piperazin-2-one?
The IUPAC name of 4-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-(2-methoxyphenyl)piperazin-2-one (CID 126434003) is 4-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-(2-methoxyphenyl)piperazin-2-one.
What is the SMILES notation for 4-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-(2-methoxyphenyl)piperazin-2-one?
The canonical SMILES for 4-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-(2-methoxyphenyl)piperazin-2-one is COc1ccccc1N1CCN(C[C@@H]2CCOC(C)(C)C2)CC1=O.
What is the InChIKey of 4-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-(2-methoxyphenyl)piperazin-2-one?
The InChIKey is JUBZXXYIFZYFRL-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-19(2)12-15(8-11-24-19)13-20-9-10-21(18(22)14-20)16-6-4-5-7-17(16)23-3/h4-7,15H,8-14H2,1-3H3/t15-/m1/s1.
What are the key properties of 4-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-(2-methoxyphenyl)piperazin-2-one?
4-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-(2-methoxyphenyl)piperazin-2-one has a molecular weight of 332.44 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-(2-methoxyphenyl)piperazin-2-one is sourced from PubChem (CID 126434003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).