1-[(4-methoxyphenyl)methyl]-4-[2-[(3R)-oxan-3-yl]acetyl]piperazin-2-one

C19H26N2O4 — CID 126447577

IUPAC1-[(4-methoxyphenyl)methyl]-4-[2-[(3R)-oxan-3-yl]acetyl]piperazin-2-one
SMILESCOc1ccc(CN2CCN(C(=O)C[C@H]3CCCOC3)CC2=O)cc1
InChIInChI=1S/C19H26N2O4/c1-24-17-6-4-15(5-7-17)12-20-8-9-21(13-19(20)23)18(22)11-16-3-2-10-25-14-16/h4-7,16H,2-3,8-14H2,1H3/t16-/m1/s1
InChIKeySQVJUQROYIRJIN-MRXNPFEDSA-N
MW346.43 g/mol
LogP1.68
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-4-[2-[(3R)-oxan-3-yl]acetyl]piperazin-2-one

1-[(4-methoxyphenyl)methyl]-4-[2-[(3R)-oxan-3-yl]acetyl]piperazin-2-one (PubChem CID 126447577) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-4-[2-[(3R)-oxan-3-yl]acetyl]piperazin-2-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-4-[2-[(3R)-oxan-3-yl]acetyl]piperazin-2-one
PubChem CID126447577
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name1-[(4-methoxyphenyl)methyl]-4-[2-[(3R)-oxan-3-yl]acetyl]piperazin-2-one
SMILESCOc1ccc(CN2CCN(C(=O)C[C@H]3CCCOC3)CC2=O)cc1
InChIInChI=1S/C19H26N2O4/c1-24-17-6-4-15(5-7-17)12-20-8-9-21(13-19(20)23)18(22)11-16-3-2-10-25-14-16/h4-7,16H,2-3,8-14H2,1H3/t16-/m1/s1
InChIKeySQVJUQROYIRJIN-MRXNPFEDSA-N
XLogP1.68
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[(3R)-oxan-3-yl]acetyl]-2-oxopiperazin-1-yl]acetic acid
CID 126438913
1-[(4-methoxyphenyl)methyl]-4-(2-morpholin-2-ylacetyl)piperazin-2-one
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1-[(4-methoxyphenyl)methyl]-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one
CID 97210382
1-(3-cyclopentylpropanoyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 26360727
1-[(4-methoxyphenyl)methyl]-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazin-2-one
CID 118779086
2-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazine-1-carbonyl]pyrrolidine-1-carboxamide
CID 70774111
methyl N-[1-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 70760409
1-[(3-methoxyphenyl)methyl]-4-(oxolane-3-carbonyl)piperazin-2-one
CID 118771406
1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one
CID 145164386
1-[(4-methoxyphenyl)methyl]-4-(4-propylbenzoyl)piperazin-2-one
CID 70767558
1-[(4-methoxyphenyl)methyl]-4-[[(3S)-piperidin-3-yl]methyl]piperazin-2-one
CID 95863305
2-[1-[(4-methoxyphenyl)methyl]-5-(oxan-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide
CID 131928681

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-[2-[(3R)-oxan-3-yl]acetyl]piperazin-2-one?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-[2-[(3R)-oxan-3-yl]acetyl]piperazin-2-one (CID 126447577) is 1-[(4-methoxyphenyl)methyl]-4-[2-[(3R)-oxan-3-yl]acetyl]piperazin-2-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-4-[2-[(3R)-oxan-3-yl]acetyl]piperazin-2-one?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-4-[2-[(3R)-oxan-3-yl]acetyl]piperazin-2-one is COc1ccc(CN2CCN(C(=O)C[C@H]3CCCOC3)CC2=O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-4-[2-[(3R)-oxan-3-yl]acetyl]piperazin-2-one?
The InChIKey is SQVJUQROYIRJIN-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-24-17-6-4-15(5-7-17)12-20-8-9-21(13-19(20)23)18(22)11-16-3-2-10-25-14-16/h4-7,16H,2-3,8-14H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-4-[2-[(3R)-oxan-3-yl]acetyl]piperazin-2-one?
1-[(4-methoxyphenyl)methyl]-4-[2-[(3R)-oxan-3-yl]acetyl]piperazin-2-one has a molecular weight of 346.43 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-4-[2-[(3R)-oxan-3-yl]acetyl]piperazin-2-one is sourced from PubChem (CID 126447577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).