3,6-dichloro-2-methoxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzamide

C16H20Cl2N2O3 — CID 110347569

IUPAC3,6-dichloro-2-methoxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)N[C@@H](C)C(=O)N1CCCCC1
InChIInChI=1S/C16H20Cl2N2O3/c1-10(16(22)20-8-4-3-5-9-20)19-15(21)13-11(17)6-7-12(18)14(13)23-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,19,21)/t10-/m0/s1
InChIKeyUALBCXWEOVEOSZ-JTQLQIEISA-N
MW359.25 g/mol
LogP3.13
Rot. Bonds4

About 3,6-dichloro-2-methoxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzamide

3,6-dichloro-2-methoxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzamide (PubChem CID 110347569) has the molecular formula C16H20Cl2N2O3 and a molecular weight of 359.25 g/mol. Its IUPAC name is 3,6-dichloro-2-methoxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzamide.

Molecular Properties

Compound Name3,6-dichloro-2-methoxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzamide
PubChem CID110347569
Molecular FormulaC16H20Cl2N2O3
Molecular Weight359.25 g/mol
Exact Mass358.09
IUPAC Name3,6-dichloro-2-methoxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)N[C@@H](C)C(=O)N1CCCCC1
InChIInChI=1S/C16H20Cl2N2O3/c1-10(16(22)20-8-4-3-5-9-20)19-15(21)13-11(17)6-7-12(18)14(13)23-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,19,21)/t10-/m0/s1
InChIKeyUALBCXWEOVEOSZ-JTQLQIEISA-N
XLogP3.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110755240
3,4,5-trimethoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 42702287
3,6-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methoxybenzamide
CID 110287800
3-chloro-4-iodo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 103735178
3-hydroxy-4-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 115674973
3,6-dichloro-2-methoxy-N-(1-phenylethyl)benzamide
CID 2788458
3-chloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 113246489
5-chloro-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide
CID 110280522
4-methoxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]quinoline-2-carboxamide
CID 1263453
2-bromo-6-fluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 115678737
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide
CID 110347461
1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide
CID 11090985

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-methoxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzamide?
The IUPAC name of 3,6-dichloro-2-methoxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzamide (CID 110347569) is 3,6-dichloro-2-methoxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzamide.
What is the SMILES notation for 3,6-dichloro-2-methoxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzamide?
The canonical SMILES for 3,6-dichloro-2-methoxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzamide is COc1c(Cl)ccc(Cl)c1C(=O)N[C@@H](C)C(=O)N1CCCCC1.
What is the InChIKey of 3,6-dichloro-2-methoxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzamide?
The InChIKey is UALBCXWEOVEOSZ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H20Cl2N2O3/c1-10(16(22)20-8-4-3-5-9-20)19-15(21)13-11(17)6-7-12(18)14(13)23-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,19,21)/t10-/m0/s1.
What are the key properties of 3,6-dichloro-2-methoxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzamide?
3,6-dichloro-2-methoxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzamide has a molecular weight of 359.25 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-methoxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzamide is sourced from PubChem (CID 110347569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).