1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one

C19H28N2O3 — CID 99959511

IUPAC1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
SMILESCOc1cccc(CN2CCN(C(=O)CC[C@H]3CCCO3)CC2)c1
InChIInChI=1S/C19H28N2O3/c1-23-18-5-2-4-16(14-18)15-20-9-11-21(12-10-20)19(22)8-7-17-6-3-13-24-17/h2,4-5,14,17H,3,6-13,15H2,1H3/t17-/m1/s1
InChIKeyYXBBXGXZCOEPOY-QGZVFWFLSA-N
MW332.44 g/mol
LogP2.30
Rot. Bonds6

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

1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one (PubChem CID 99959511) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
PubChem CID99959511
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
SMILESCOc1cccc(CN2CCN(C(=O)CC[C@H]3CCCO3)CC2)c1
InChIInChI=1S/C19H28N2O3/c1-23-18-5-2-4-16(14-18)15-20-9-11-21(12-10-20)19(22)8-7-17-6-3-13-24-17/h2,4-5,14,17H,3,6-13,15H2,1H3/t17-/m1/s1
InChIKeyYXBBXGXZCOEPOY-QGZVFWFLSA-N
XLogP2.30
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one with MolForge

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Related Compounds

4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-oxan-2-yl]ethyl]piperazine-1-carboxamide
CID 126448550
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-[(2S)-oxolan-2-yl]propanamide
CID 94820300
1-(4-benzylpiperazin-1-yl)-3-[(3S)-1-(3-methoxybenzoyl)piperidin-3-yl]propan-1-one
CID 25278100
1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 51103888
2-(4-methoxyphenyl)-1-[4-[2-[(2S)-oxolan-2-yl]ethyl]piperazin-1-yl]ethanone
CID 99858408
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone
CID 780106
3-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110398756
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylsulfanylethanone
CID 23906308
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 95267941
1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one
CID 78875371
4-[(3-methoxyphenyl)methyl]-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 126423329
1-(3-methoxyphenyl)-4-(oxolan-2-yl)butan-1-one
CID 65167309

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one?
The IUPAC name of 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one (CID 99959511) is 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one.
What is the SMILES notation for 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one?
The canonical SMILES for 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one is COc1cccc(CN2CCN(C(=O)CC[C@H]3CCCO3)CC2)c1.
What is the InChIKey of 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one?
The InChIKey is YXBBXGXZCOEPOY-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-23-18-5-2-4-16(14-18)15-20-9-11-21(12-10-20)19(22)8-7-17-6-3-13-24-17/h2,4-5,14,17H,3,6-13,15H2,1H3/t17-/m1/s1.
What are the key properties of 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one?
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one has a molecular weight of 332.44 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one is sourced from PubChem (CID 99959511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).