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

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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).