4-chloro-2-methoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide

C16H23ClN2O2 — CID 56716852

IUPAC4-chloro-2-methoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide
SMILESCOc1cc(Cl)ccc1C(=O)NCCC1CCCN(C)C1
InChIInChI=1S/C16H23ClN2O2/c1-19-9-3-4-12(11-19)7-8-18-16(20)14-6-5-13(17)10-15(14)21-2/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H,18,20)
InChIKeyMAQVNHVXLAAAAK-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.81
Rot. Bonds5

About 4-chloro-2-methoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide

4-chloro-2-methoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide (PubChem CID 56716852) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide
PubChem CID56716852
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name4-chloro-2-methoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide
SMILESCOc1cc(Cl)ccc1C(=O)NCCC1CCCN(C)C1
InChIInChI=1S/C16H23ClN2O2/c1-19-9-3-4-12(11-19)7-8-18-16(20)14-6-5-13(17)10-15(14)21-2/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H,18,20)
InChIKeyMAQVNHVXLAAAAK-UHFFFAOYSA-N
XLogP2.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630238
2,4,5-trimethoxy-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide
CID 95213688
2-bromo-4-chloro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 103765330
4-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methoxybenzamide
CID 91795547
2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99970994
4-chloro-2-fluoro-N-[2-[(3R)-3-(methoxymethyl)piperidin-1-yl]ethyl]benzamide
CID 124738268
6-methoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 95207704
2-methyl-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-5-propan-2-ylfuran-3-carboxamide
CID 95229686
2-[2-[(4-chloro-2-methoxybenzoyl)amino]ethylsulfanyl]acetic acid
CID 119242206
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzamide
CID 63298974
2,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide
CID 60894812
4-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-2-methoxybenzamide
CID 86284070

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-2-methoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide (CID 56716852) is 4-chloro-2-methoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-2-methoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-2-methoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide is COc1cc(Cl)ccc1C(=O)NCCC1CCCN(C)C1.
What is the InChIKey of 4-chloro-2-methoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide?
The InChIKey is MAQVNHVXLAAAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-19-9-3-4-12(11-19)7-8-18-16(20)14-6-5-13(17)10-15(14)21-2/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H,18,20).
What are the key properties of 4-chloro-2-methoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide?
4-chloro-2-methoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide has a molecular weight of 310.82 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide is sourced from PubChem (CID 56716852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).