N-(4-chloro-3-methylphenyl)-2-[methyl-[[(2R)-1-methylpiperidin-2-yl]methyl]amino]acetamide

C17H26ClN3O — CID 124758452

IUPACN-(4-chloro-3-methylphenyl)-2-[methyl-[[(2R)-1-methylpiperidin-2-yl]methyl]amino]acetamide
SMILESCc1cc(NC(=O)CN(C)C[C@H]2CCCCN2C)ccc1Cl
InChIInChI=1S/C17H26ClN3O/c1-13-10-14(7-8-16(13)18)19-17(22)12-20(2)11-15-6-4-5-9-21(15)3/h7-8,10,15H,4-6,9,11-12H2,1-3H3,(H,19,22)/t15-/m1/s1
InChIKeyYQBQLFGDRGSLRC-OAHLLOKOSA-N
MW323.87 g/mol
LogP3.00
Rot. Bonds5

About N-(4-chloro-3-methylphenyl)-2-[methyl-[[(2R)-1-methylpiperidin-2-yl]methyl]amino]acetamide

N-(4-chloro-3-methylphenyl)-2-[methyl-[[(2R)-1-methylpiperidin-2-yl]methyl]amino]acetamide (PubChem CID 124758452) has the molecular formula C17H26ClN3O and a molecular weight of 323.87 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-2-[methyl-[[(2R)-1-methylpiperidin-2-yl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-2-[methyl-[[(2R)-1-methylpiperidin-2-yl]methyl]amino]acetamide
PubChem CID124758452
Molecular FormulaC17H26ClN3O
Molecular Weight323.87 g/mol
Exact Mass323.18
IUPAC NameN-(4-chloro-3-methylphenyl)-2-[methyl-[[(2R)-1-methylpiperidin-2-yl]methyl]amino]acetamide
SMILESCc1cc(NC(=O)CN(C)C[C@H]2CCCCN2C)ccc1Cl
InChIInChI=1S/C17H26ClN3O/c1-13-10-14(7-8-16(13)18)19-17(22)12-20(2)11-15-6-4-5-9-21(15)3/h7-8,10,15H,4-6,9,11-12H2,1-3H3,(H,19,22)/t15-/m1/s1
InChIKeyYQBQLFGDRGSLRC-OAHLLOKOSA-N
XLogP3.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-fluorophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide
CID 79304499
N-(3-cyanophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide
CID 79309474
N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]-2-(1-methylpiperidin-2-yl)acetamide
CID 131938414
N-(4-chloro-3-methylphenyl)-2-[methyl(thian-4-yl)amino]acetamide
CID 91843440
N-(3-amino-4-chlorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide
CID 61443934
N-(3,4-dimethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110857374
N-(3-chloro-4-methoxyphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110859529
1-(2,4-dichlorophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79319415
N-(4-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110856796
N-(3-amino-4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62547619
(2R)-1-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxamide
CID 8551761
2-chloro-5-[(1-methylpiperidin-2-yl)methylamino]benzoic acid
CID 62657718

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-2-[methyl-[[(2R)-1-methylpiperidin-2-yl]methyl]amino]acetamide?
The IUPAC name of N-(4-chloro-3-methylphenyl)-2-[methyl-[[(2R)-1-methylpiperidin-2-yl]methyl]amino]acetamide (CID 124758452) is N-(4-chloro-3-methylphenyl)-2-[methyl-[[(2R)-1-methylpiperidin-2-yl]methyl]amino]acetamide.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-2-[methyl-[[(2R)-1-methylpiperidin-2-yl]methyl]amino]acetamide?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-2-[methyl-[[(2R)-1-methylpiperidin-2-yl]methyl]amino]acetamide is Cc1cc(NC(=O)CN(C)C[C@H]2CCCCN2C)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-2-[methyl-[[(2R)-1-methylpiperidin-2-yl]methyl]amino]acetamide?
The InChIKey is YQBQLFGDRGSLRC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26ClN3O/c1-13-10-14(7-8-16(13)18)19-17(22)12-20(2)11-15-6-4-5-9-21(15)3/h7-8,10,15H,4-6,9,11-12H2,1-3H3,(H,19,22)/t15-/m1/s1.
What are the key properties of N-(4-chloro-3-methylphenyl)-2-[methyl-[[(2R)-1-methylpiperidin-2-yl]methyl]amino]acetamide?
N-(4-chloro-3-methylphenyl)-2-[methyl-[[(2R)-1-methylpiperidin-2-yl]methyl]amino]acetamide has a molecular weight of 323.87 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-2-[methyl-[[(2R)-1-methylpiperidin-2-yl]methyl]amino]acetamide is sourced from PubChem (CID 124758452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).