2-methoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]butan-2-yl]benzamide

C25H33N3O3 — CID 34580207

IUPAC2-methoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]butan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)N[C@H](C(=O)N1CCN(CCc2ccccc2)CC1)C(C)C
InChIInChI=1S/C25H33N3O3/c1-19(2)23(26-24(29)21-11-7-8-12-22(21)31-3)25(30)28-17-15-27(16-18-28)14-13-20-9-5-4-6-10-20/h4-12,19,23H,13-18H2,1-3H3,(H,26,29)/t23-/m0/s1
InChIKeyPNPLPWAXLFTMPN-QHCPKHFHSA-N
MW423.56 g/mol
LogP2.84
Rot. Bonds8

About 2-methoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]butan-2-yl]benzamide

2-methoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]butan-2-yl]benzamide (PubChem CID 34580207) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-methoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]butan-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]butan-2-yl]benzamide
PubChem CID34580207
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name2-methoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]butan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)N[C@H](C(=O)N1CCN(CCc2ccccc2)CC1)C(C)C
InChIInChI=1S/C25H33N3O3/c1-19(2)23(26-24(29)21-11-7-8-12-22(21)31-3)25(30)28-17-15-27(16-18-28)14-13-20-9-5-4-6-10-20/h4-12,19,23H,13-18H2,1-3H3,(H,26,29)/t23-/m0/s1
InChIKeyPNPLPWAXLFTMPN-QHCPKHFHSA-N
XLogP2.84
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]butan-2-yl]benzamide with MolForge

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Related Compounds

N-[1-[3-(4-benzylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
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CID 46523708
(2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 6422948
2-methoxy-N-[3-methyl-1-(2-methylmorpholin-4-yl)-1-oxobutan-2-yl]benzamide
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N-[1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 4801675
N-[(2R)-3-methyl-1-oxo-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]butan-2-yl]-2,2-diphenylacetamide
CID 97263096
(2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one
CID 119838010
methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
N-[(2S)-1-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 30457115
2-methoxy-N-[3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide;hydrochloride
CID 119394766
[1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 22016527
2,6-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]benzamide
CID 110348628

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]butan-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]butan-2-yl]benzamide (CID 34580207) is 2-methoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]butan-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]butan-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]butan-2-yl]benzamide is COc1ccccc1C(=O)N[C@H](C(=O)N1CCN(CCc2ccccc2)CC1)C(C)C.
What is the InChIKey of 2-methoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]butan-2-yl]benzamide?
The InChIKey is PNPLPWAXLFTMPN-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-19(2)23(26-24(29)21-11-7-8-12-22(21)31-3)25(30)28-17-15-27(16-18-28)14-13-20-9-5-4-6-10-20/h4-12,19,23H,13-18H2,1-3H3,(H,26,29)/t23-/m0/s1.
What are the key properties of 2-methoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]butan-2-yl]benzamide?
2-methoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]butan-2-yl]benzamide has a molecular weight of 423.56 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]butan-2-yl]benzamide is sourced from PubChem (CID 34580207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).