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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Related Compounds

1-(4-methoxyphenyl)-3-[4-(2-methylpiperidine-1-carbonyl)anilino]propan-1-one
CID 5295353
1-(4-chlorophenyl)-3-[4-(2-methylpiperidine-1-carbonyl)anilino]propan-1-one
CID 17138717
[4-[(4-methoxyphenoxy)methyl]phenyl]-(2-methylpiperidin-1-yl)methanone
CID 122195788
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
4-[[4-(2-methylpiperidine-1-carbonyl)anilino]methyl]benzoic acid
CID 122033520
3-anilino-1-(4-methoxyphenyl)propan-1-one
CID 766931
[4-[[(2S)-1-methoxypropan-2-yl]amino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 100706518
1-(4-methoxybutyl)-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]urea
CID 56684475
[4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 99798871
2-(cyclopropylmethylamino)-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119712985
tert-butyl N-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]carbamate
CID 24537576

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).