(2R)-3-methoxy-N-[3-methyl-2-(methylamino)phenyl]-2-(4-methylpiperazin-1-yl)propanamide

C17H28N4O2 — CID 167162324

IUPAC(2R)-3-methoxy-N-[3-methyl-2-(methylamino)phenyl]-2-(4-methylpiperazin-1-yl)propanamide
SMILESCNc1c(C)cccc1NC(=O)[C@@H](COC)N1CCN(C)CC1
InChIInChI=1S/C17H28N4O2/c1-13-6-5-7-14(16(13)18-2)19-17(22)15(12-23-4)21-10-8-20(3)9-11-21/h5-7,15,18H,8-12H2,1-4H3,(H,19,22)/t15-/m1/s1
InChIKeyFMSPRBYDWDGBPU-OAHLLOKOSA-N
MW320.44 g/mol
LogP1.24
Rot. Bonds6

About (2R)-3-methoxy-N-[3-methyl-2-(methylamino)phenyl]-2-(4-methylpiperazin-1-yl)propanamide

(2R)-3-methoxy-N-[3-methyl-2-(methylamino)phenyl]-2-(4-methylpiperazin-1-yl)propanamide (PubChem CID 167162324) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is (2R)-3-methoxy-N-[3-methyl-2-(methylamino)phenyl]-2-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-3-methoxy-N-[3-methyl-2-(methylamino)phenyl]-2-(4-methylpiperazin-1-yl)propanamide
PubChem CID167162324
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name(2R)-3-methoxy-N-[3-methyl-2-(methylamino)phenyl]-2-(4-methylpiperazin-1-yl)propanamide
SMILESCNc1c(C)cccc1NC(=O)[C@@H](COC)N1CCN(C)CC1
InChIInChI=1S/C17H28N4O2/c1-13-6-5-7-14(16(13)18-2)19-17(22)15(12-23-4)21-10-8-20(3)9-11-21/h5-7,15,18H,8-12H2,1-4H3,(H,19,22)/t15-/m1/s1
InChIKeyFMSPRBYDWDGBPU-OAHLLOKOSA-N
XLogP1.24
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-(2-methylanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
CID 7421951
methyl 5-[[5-fluoro-4-[7-[[(2R)-3-methoxy-2-(4-methylpiperazin-1-yl)propanoyl]amino]-1H-indol-3-yl]pyrimidin-2-yl]amino]-3-methylpyridine-2-carboxylate
CID 155228652
4-(2-methoxyethyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113104956
N-(2,6-dimethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104947
N-[3-[5-fluoro-2-[[2-(hydroxymethyl)-6-methyl-4-pyridinyl]amino]pyrimidin-4-yl]-1H-indol-7-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide
CID 164817651
(2R)-N-[1-[5-fluoro-2-[[2-(hydroxymethyl)-6-methyl-4-pyridinyl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide
CID 164987388
(2S)-N-[3-[5-fluoro-2-(2-fluoro-3-methylsulfonylanilino)pyrimidin-4-yl]-1H-indol-7-yl]-3-methoxy-2-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 135240546
(2S)-N-(2-acetylphenyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 9250084
(2R)-N-[3-[2-[[2-(aminomethyl)-4-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-1H-indol-7-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide
CID 155228610
(2R)-4-(3-chloro-2-methylanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
CID 7166314
3-methoxy-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 81085361
2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
CID 51167865

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methoxy-N-[3-methyl-2-(methylamino)phenyl]-2-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of (2R)-3-methoxy-N-[3-methyl-2-(methylamino)phenyl]-2-(4-methylpiperazin-1-yl)propanamide (CID 167162324) is (2R)-3-methoxy-N-[3-methyl-2-(methylamino)phenyl]-2-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2R)-3-methoxy-N-[3-methyl-2-(methylamino)phenyl]-2-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for (2R)-3-methoxy-N-[3-methyl-2-(methylamino)phenyl]-2-(4-methylpiperazin-1-yl)propanamide is CNc1c(C)cccc1NC(=O)[C@@H](COC)N1CCN(C)CC1.
What is the InChIKey of (2R)-3-methoxy-N-[3-methyl-2-(methylamino)phenyl]-2-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is FMSPRBYDWDGBPU-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-6-5-7-14(16(13)18-2)19-17(22)15(12-23-4)21-10-8-20(3)9-11-21/h5-7,15,18H,8-12H2,1-4H3,(H,19,22)/t15-/m1/s1.
What are the key properties of (2R)-3-methoxy-N-[3-methyl-2-(methylamino)phenyl]-2-(4-methylpiperazin-1-yl)propanamide?
(2R)-3-methoxy-N-[3-methyl-2-(methylamino)phenyl]-2-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 320.44 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methoxy-N-[3-methyl-2-(methylamino)phenyl]-2-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 167162324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).