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

C22H28FN3O3 — CID 8721161

IUPAC(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
SMILESCOc1ccc(CN2CCN([C@H](C)C(=O)Nc3ccccc3F)CC2)cc1OC
InChIInChI=1S/C22H28FN3O3/c1-16(22(27)24-19-7-5-4-6-18(19)23)26-12-10-25(11-13-26)15-17-8-9-20(28-2)21(14-17)29-3/h4-9,14,16H,10-13,15H2,1-3H3,(H,24,27)/t16-/m1/s1
InChIKeyKYBZTJRQCCGRQM-MRXNPFEDSA-N
MW401.48 g/mol
LogP2.99
Rot. Bonds7

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

(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide (PubChem CID 8721161) has the molecular formula C22H28FN3O3 and a molecular weight of 401.48 g/mol. Its IUPAC name is (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
PubChem CID8721161
Molecular FormulaC22H28FN3O3
Molecular Weight401.48 g/mol
Exact Mass401.21
IUPAC Name(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
SMILESCOc1ccc(CN2CCN([C@H](C)C(=O)Nc3ccccc3F)CC2)cc1OC
InChIInChI=1S/C22H28FN3O3/c1-16(22(27)24-19-7-5-4-6-18(19)23)26-12-10-25(11-13-26)15-17-8-9-20(28-2)21(14-17)29-3/h4-9,14,16H,10-13,15H2,1-3H3,(H,24,27)/t16-/m1/s1
InChIKeyKYBZTJRQCCGRQM-MRXNPFEDSA-N
XLogP2.99
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 8721291
(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 30622733
(2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 30642247
(2R)-N-(2-methoxyphenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanamide
CID 9300414
2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 24616750
(2R)-N-(2-fluorophenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide
CID 30724639
(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 8721271
(2S)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 8997506
(2S)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 9130375
N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]propanamide
CID 60502336
1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine
CID 764481
(2R)-N-(1-adamantyl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 8774474

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
The IUPAC name of (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide (CID 8721161) is (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide is COc1ccc(CN2CCN([C@H](C)C(=O)Nc3ccccc3F)CC2)cc1OC.
What is the InChIKey of (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
The InChIKey is KYBZTJRQCCGRQM-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H28FN3O3/c1-16(22(27)24-19-7-5-4-6-18(19)23)26-12-10-25(11-13-26)15-17-8-9-20(28-2)21(14-17)29-3/h4-9,14,16H,10-13,15H2,1-3H3,(H,24,27)/t16-/m1/s1.
What are the key properties of (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide has a molecular weight of 401.48 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 8721161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).