(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide

C22H28FN3O — CID 92987715

IUPAC(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide
SMILESCc1cccc(N2CCN([C@H](C)C(=O)NCc3ccccc3F)CC2)c1C
InChIInChI=1S/C22H28FN3O/c1-16-7-6-10-21(17(16)2)26-13-11-25(12-14-26)18(3)22(27)24-15-19-8-4-5-9-20(19)23/h4-10,18H,11-15H2,1-3H3,(H,24,27)/t18-/m1/s1
InChIKeyOYWNRQCTARWIRQ-GOSISDBHSA-N
MW369.48 g/mol
LogP3.27
Rot. Bonds5

About (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide

(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 92987715) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID92987715
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC Name(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide
SMILESCc1cccc(N2CCN([C@H](C)C(=O)NCc3ccccc3F)CC2)c1C
InChIInChI=1S/C22H28FN3O/c1-16-7-6-10-21(17(16)2)26-13-11-25(12-14-26)18(3)22(27)24-15-19-8-4-5-9-20(19)23/h4-10,18H,11-15H2,1-3H3,(H,24,27)/t18-/m1/s1
InChIKeyOYWNRQCTARWIRQ-GOSISDBHSA-N
XLogP3.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2,6-difluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 9460053
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 17438368
(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 9460133
(2R)-N-(benzylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 9460175
(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 9460026
(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 9460029
(2R)-N-[(2-fluorophenyl)methyl]-2-morpholin-4-ylpropanamide
CID 32807681
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 134045480
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 46043414
(2S)-N-(2,4-difluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 9460044
N-[(2-fluorophenyl)methyl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110899328
N-[(2-fluorophenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111113698

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide (CID 92987715) is (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide is Cc1cccc(N2CCN([C@H](C)C(=O)NCc3ccccc3F)CC2)c1C.
What is the InChIKey of (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is OYWNRQCTARWIRQ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H28FN3O/c1-16-7-6-10-21(17(16)2)26-13-11-25(12-14-26)18(3)22(27)24-15-19-8-4-5-9-20(19)23/h4-10,18H,11-15H2,1-3H3,(H,24,27)/t18-/m1/s1.
What are the key properties of (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide?
(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 369.48 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 92987715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).