[2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylethyl]carbamic acid

C20H25N3O3 — CID 19433569

IUPAC[2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylethyl]carbamic acid
SMILESCOc1ccccc1N1CCN(CC(NC(=O)O)c2ccccc2)CC1
InChIInChI=1S/C20H25N3O3/c1-26-19-10-6-5-9-18(19)23-13-11-22(12-14-23)15-17(21-20(24)25)16-7-3-2-4-8-16/h2-10,17,21H,11-15H2,1H3,(H,24,25)
InChIKeyAQPWPPWBWGUUEL-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.83
Rot. Bonds6

About [2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylethyl]carbamic acid

[2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylethyl]carbamic acid (PubChem CID 19433569) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylethyl]carbamic acid.

Molecular Properties

Compound Name[2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylethyl]carbamic acid
PubChem CID19433569
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylethyl]carbamic acid
SMILESCOc1ccccc1N1CCN(CC(NC(=O)O)c2ccccc2)CC1
InChIInChI=1S/C20H25N3O3/c1-26-19-10-6-5-9-18(19)23-13-11-22(12-14-23)15-17(21-20(24)25)16-7-3-2-4-8-16/h2-10,17,21H,11-15H2,1H3,(H,24,25)
InChIKeyAQPWPPWBWGUUEL-UHFFFAOYSA-N
XLogP2.83
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate
CID 19433554
3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 18956031
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(1R)-1-phenylbutyl]propanamide
CID 9346063
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutan-2-amine
CID 43199804
2-amino-1-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 70470498
1-(2-methoxyphenyl)-4-[2-(4-methylphenoxy)-2-phenylethyl]piperazine
CID 58057984
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952615
(2R)-2-fluoro-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 86339195
N-[cyclohexyl(phenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 14208395
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,2-dimethylpropan-1-amine
CID 62418788
propan-2-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 110186525

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylethyl]carbamic acid?
The IUPAC name of [2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylethyl]carbamic acid (CID 19433569) is [2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylethyl]carbamic acid.
What is the SMILES notation for [2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylethyl]carbamic acid?
The canonical SMILES for [2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylethyl]carbamic acid is COc1ccccc1N1CCN(CC(NC(=O)O)c2ccccc2)CC1.
What is the InChIKey of [2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylethyl]carbamic acid?
The InChIKey is AQPWPPWBWGUUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-26-19-10-6-5-9-18(19)23-13-11-22(12-14-23)15-17(21-20(24)25)16-7-3-2-4-8-16/h2-10,17,21H,11-15H2,1H3,(H,24,25).
What are the key properties of [2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylethyl]carbamic acid?
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylethyl]carbamic acid has a molecular weight of 355.44 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylethyl]carbamic acid is sourced from PubChem (CID 19433569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).