1-[4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone

C18H26N2O4 — CID 92852067

IUPAC1-[4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(OC[C@@H]3COC(C)(C)O3)cc2)CC1
InChIInChI=1S/C18H26N2O4/c1-14(21)19-8-10-20(11-9-19)15-4-6-16(7-5-15)22-12-17-13-23-18(2,3)24-17/h4-7,17H,8-13H2,1-3H3/t17-/m1/s1
InChIKeyOBLRHKZTHGNXFI-QGZVFWFLSA-N
MW334.42 g/mol
LogP1.89
Rot. Bonds4

About 1-[4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone

1-[4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone (PubChem CID 92852067) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
PubChem CID92852067
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name1-[4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(OC[C@@H]3COC(C)(C)O3)cc2)CC1
InChIInChI=1S/C18H26N2O4/c1-14(21)19-8-10-20(11-9-19)15-4-6-16(7-5-15)22-12-17-13-23-18(2,3)24-17/h4-7,17H,8-13H2,1-3H3/t17-/m1/s1
InChIKeyOBLRHKZTHGNXFI-QGZVFWFLSA-N
XLogP1.89
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide
CID 129387400
1-[4-[4-[[(2S,4R)-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
CID 14990305
2,2-dimethyl-4-[(4-methylphenoxy)methyl]-1,3-dioxolane
CID 66834871
[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-(4-hydroxyphenyl)methanone
CID 90480248
1-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]ethanol
CID 54150014
(4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane
CID 57225291
4-[3-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]propoxy]benzoic acid
CID 67087183
1-[4-[4-[[2-(imidazol-1-ylmethyl)-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
CID 19813149
1-[4-[4-[[2-(2-bromo-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-bromo-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-chloro-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-fluoro-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
CID 160971347
1-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;dihydrochloride
CID 70539730
4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxybenzenecarboximidamide
CID 123686862
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-[4-(oxiran-2-ylmethoxy)phenyl]propanoate
CID 15034748

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone (CID 92852067) is 1-[4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(OC[C@@H]3COC(C)(C)O3)cc2)CC1.
What is the InChIKey of 1-[4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone?
The InChIKey is OBLRHKZTHGNXFI-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-14(21)19-8-10-20(11-9-19)15-4-6-16(7-5-15)22-12-17-13-23-18(2,3)24-17/h4-7,17H,8-13H2,1-3H3/t17-/m1/s1.
What are the key properties of 1-[4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone?
1-[4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone has a molecular weight of 334.42 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 92852067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).