1-(4-methoxyphenyl)-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]anilino]propan-1-one

C23H28N2O3 — CID 7298536

IUPAC1-(4-methoxyphenyl)-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]anilino]propan-1-one
SMILESCOc1ccc(C(=O)CCNc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1
InChIInChI=1S/C23H28N2O3/c1-17-5-3-4-16-25(17)23(27)19-6-10-20(11-7-19)24-15-14-22(26)18-8-12-21(28-2)13-9-18/h6-13,17,24H,3-5,14-16H2,1-2H3/t17-/m0/s1
InChIKeyMHYJPXMKGLGLDM-KRWDZBQOSA-N
MW380.49 g/mol
LogP4.39
Rot. Bonds7

About 1-(4-methoxyphenyl)-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]anilino]propan-1-one

1-(4-methoxyphenyl)-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]anilino]propan-1-one (PubChem CID 7298536) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]anilino]propan-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]anilino]propan-1-one
PubChem CID7298536
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name1-(4-methoxyphenyl)-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]anilino]propan-1-one
SMILESCOc1ccc(C(=O)CCNc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1
InChIInChI=1S/C23H28N2O3/c1-17-5-3-4-16-25(17)23(27)19-6-10-20(11-7-19)24-15-14-22(26)18-8-12-21(28-2)13-9-18/h6-13,17,24H,3-5,14-16H2,1-2H3/t17-/m0/s1
InChIKeyMHYJPXMKGLGLDM-KRWDZBQOSA-N
XLogP4.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]anilino]propan-1-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]anilino]propan-1-one (CID 7298536) is 1-(4-methoxyphenyl)-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]anilino]propan-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]anilino]propan-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]anilino]propan-1-one is COc1ccc(C(=O)CCNc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]anilino]propan-1-one?
The InChIKey is MHYJPXMKGLGLDM-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-17-5-3-4-16-25(17)23(27)19-6-10-20(11-7-19)24-15-14-22(26)18-8-12-21(28-2)13-9-18/h6-13,17,24H,3-5,14-16H2,1-2H3/t17-/m0/s1.
What are the key properties of 1-(4-methoxyphenyl)-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]anilino]propan-1-one?
1-(4-methoxyphenyl)-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]anilino]propan-1-one has a molecular weight of 380.49 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]anilino]propan-1-one is sourced from PubChem (CID 7298536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).