4-chloro-N,N-dimethyl-3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]benzamide

C17H24ClN3O2 — CID 95155298

IUPAC4-chloro-N,N-dimethyl-3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]benzamide
SMILESC[C@@H]1CCCCN1C(=O)CNc1cc(C(=O)N(C)C)ccc1Cl
InChIInChI=1S/C17H24ClN3O2/c1-12-6-4-5-9-21(12)16(22)11-19-15-10-13(7-8-14(15)18)17(23)20(2)3/h7-8,10,12,19H,4-6,9,11H2,1-3H3/t12-/m1/s1
InChIKeyCLPAHMGECVXRIB-GFCCVEGCSA-N
MW337.85 g/mol
LogP2.85
Rot. Bonds4

About 4-chloro-N,N-dimethyl-3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]benzamide

4-chloro-N,N-dimethyl-3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]benzamide (PubChem CID 95155298) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]benzamide
PubChem CID95155298
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name4-chloro-N,N-dimethyl-3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]benzamide
SMILESC[C@@H]1CCCCN1C(=O)CNc1cc(C(=O)N(C)C)ccc1Cl
InChIInChI=1S/C17H24ClN3O2/c1-12-6-4-5-9-21(12)16(22)11-19-15-10-13(7-8-14(15)18)17(23)20(2)3/h7-8,10,12,19H,4-6,9,11H2,1-3H3/t12-/m1/s1
InChIKeyCLPAHMGECVXRIB-GFCCVEGCSA-N
XLogP2.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-chloro-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 168988063
4-chloro-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzamide
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N,N,4-trimethyl-3-[(1-methylpiperidin-2-yl)methylamino]benzamide
CID 62656532
4-chloro-N,N-dimethyl-3-(pentylamino)benzamide
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2-(2,3-dichloroanilino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 109006495
3-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide
CID 60537196
(3-bromo-4-chlorophenyl)-(2-methylpiperidin-1-yl)methanone
CID 103841523
(3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone
CID 103734678
2-(methylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 24702742
4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43697266
2-(tert-butylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 78987116
4-chloro-N,N-dimethyl-3-(pyridin-4-ylmethylamino)benzamide
CID 43738745

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]benzamide?
The IUPAC name of 4-chloro-N,N-dimethyl-3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]benzamide (CID 95155298) is 4-chloro-N,N-dimethyl-3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 4-chloro-N,N-dimethyl-3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]benzamide?
The canonical SMILES for 4-chloro-N,N-dimethyl-3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]benzamide is C[C@@H]1CCCCN1C(=O)CNc1cc(C(=O)N(C)C)ccc1Cl.
What is the InChIKey of 4-chloro-N,N-dimethyl-3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]benzamide?
The InChIKey is CLPAHMGECVXRIB-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-12-6-4-5-9-21(12)16(22)11-19-15-10-13(7-8-14(15)18)17(23)20(2)3/h7-8,10,12,19H,4-6,9,11H2,1-3H3/t12-/m1/s1.
What are the key properties of 4-chloro-N,N-dimethyl-3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]benzamide?
4-chloro-N,N-dimethyl-3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]benzamide has a molecular weight of 337.85 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 95155298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).