(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide

C27H32N3O2+ — CID 7922114

IUPAC(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide
SMILESCCOc1ccccc1N1CC[NH+]([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C27H31N3O2/c1-3-32-26-16-10-9-15-25(26)30-19-17-29(18-20-30)21(2)27(31)28-24-14-8-7-13-23(24)22-11-5-4-6-12-22/h4-16,21H,3,17-20H2,1-2H3,(H,28,31)/p+1/t21-/m1/s1
InChIKeyRPGHBXFCZCAHEA-OAQYLSRUSA-O
MW430.57 g/mol
LogP3.48
Rot. Bonds7

About (2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide

(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide (PubChem CID 7922114) has the molecular formula C27H32N3O2+ and a molecular weight of 430.57 g/mol. Its IUPAC name is (2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide
PubChem CID7922114
Molecular FormulaC27H32N3O2+
Molecular Weight430.57 g/mol
Exact Mass430.25
IUPAC Name(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide
SMILESCCOc1ccccc1N1CC[NH+]([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C27H31N3O2/c1-3-32-26-16-10-9-15-25(26)30-19-17-29(18-20-30)21(2)27(31)28-24-14-8-7-13-23(24)22-11-5-4-6-12-22/h4-16,21H,3,17-20H2,1-2H3,(H,28,31)/p+1/t21-/m1/s1
InChIKeyRPGHBXFCZCAHEA-OAQYLSRUSA-O
XLogP3.48
TPSA46.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide
CID 2100076
(2S)-N-(2-chlorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9430279
(2R)-N-(2,6-dimethylphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9430413
(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-ethoxyphenyl)propanamide
CID 9460062
(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9430399
(2R)-N-(tert-butylcarbamoyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9430469
(2R)-N-(3-chloro-4-fluorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9430341
(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 9430403
(2S)-N-(2-ethoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9461943
(2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]-N-(2-phenylphenyl)propanamide
CID 8774325
(2S)-N-(2-ethoxyphenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide
CID 9495152
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]propanamide
CID 8704518

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide?
The IUPAC name of (2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide (CID 7922114) is (2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide?
The canonical SMILES for (2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide is CCOc1ccccc1N1CC[NH+]([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of (2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide?
The InChIKey is RPGHBXFCZCAHEA-OAQYLSRUSA-O. The full InChI is InChI=1S/C27H31N3O2/c1-3-32-26-16-10-9-15-25(26)30-19-17-29(18-20-30)21(2)27(31)28-24-14-8-7-13-23(24)22-11-5-4-6-12-22/h4-16,21H,3,17-20H2,1-2H3,(H,28,31)/p+1/t21-/m1/s1.
What are the key properties of (2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide?
(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide has a molecular weight of 430.57 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 7922114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).