3,4-dichloro-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]benzamide

C15H19Cl2N3O2 — CID 120555666

IUPAC3,4-dichloro-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]benzamide
SMILESCC1CNCCC1NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H19Cl2N3O2/c1-9-7-18-5-4-13(9)20-14(21)8-19-15(22)10-2-3-11(16)12(17)6-10/h2-3,6,9,13,18H,4-5,7-8H2,1H3,(H,19,22)(H,20,21)
InChIKeySOBMHDSBEVELLC-UHFFFAOYSA-N
MW344.24 g/mol
LogP1.84
Rot. Bonds4

About 3,4-dichloro-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]benzamide

3,4-dichloro-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]benzamide (PubChem CID 120555666) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]benzamide
PubChem CID120555666
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC Name3,4-dichloro-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]benzamide
SMILESCC1CNCCC1NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H19Cl2N3O2/c1-9-7-18-5-4-13(9)20-14(21)8-19-15(22)10-2-3-11(16)12(17)6-10/h2-3,6,9,13,18H,4-5,7-8H2,1H3,(H,19,22)(H,20,21)
InChIKeySOBMHDSBEVELLC-UHFFFAOYSA-N
XLogP1.84
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557633
N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide
CID 120555735
4-fluoro-N-[4-[(3-methylpiperidin-4-yl)amino]-4-oxobutyl]benzamide;hydrochloride
CID 120554428
2-(3-chlorophenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120553915
3-(2,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553265
2,2-dimethyl-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]propanamide;hydrochloride
CID 120554584
1-(3,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide
CID 120555393
N-(3-methylpiperidin-4-yl)-3-(propanoylamino)benzamide
CID 120554475
N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 120556070
N-(3-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 120555926
1-[(2-chlorophenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 120553896
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]benzamide (CID 120555666) is 3,4-dichloro-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]benzamide is CC1CNCCC1NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is SOBMHDSBEVELLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O2/c1-9-7-18-5-4-13(9)20-14(21)8-19-15(22)10-2-3-11(16)12(17)6-10/h2-3,6,9,13,18H,4-5,7-8H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 3,4-dichloro-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]benzamide?
3,4-dichloro-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 344.24 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 120555666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).