N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide

C15H18ClN3O — CID 2697936

IUPACN-(5-chloro-2-cyanophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
SMILESC[C@@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C15H18ClN3O/c1-11-4-2-3-7-19(11)10-15(20)18-14-8-13(16)6-5-12(14)9-17/h5-6,8,11H,2-4,7,10H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyRDXNJEZGOIKMKG-LLVKDONJSA-N
MW291.78 g/mol
LogP3.02
Rot. Bonds3

About N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide

N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide (PubChem CID 2697936) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
PubChem CID2697936
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
SMILESC[C@@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C15H18ClN3O/c1-11-4-2-3-7-19(11)10-15(20)18-14-8-13(16)6-5-12(14)9-17/h5-6,8,11H,2-4,7,10H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyRDXNJEZGOIKMKG-LLVKDONJSA-N
XLogP3.02
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-cyanophenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide
CID 111333324
N-(4-chloro-2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583329
N-(5-chloro-2-cyanophenyl)-2-[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]acetamide
CID 78901193
N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidin-1-yl]acetamide
CID 124840763
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(5-chloro-2-cyanophenyl)acetamide
CID 11940553
N-(5-chloro-2-phenoxyphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 16554809
2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(5-chloro-2-cyanophenyl)acetamide
CID 9135046
N-(5-chloro-2-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 110877770
N-(2,5-difluorophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 16554820
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583209
N-(2-chloro-4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2412165
N-(5-chloro-2-cyanophenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 2660736

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide (CID 2697936) is N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide is C[C@@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1C#N.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide?
The InChIKey is RDXNJEZGOIKMKG-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-11-4-2-3-7-19(11)10-15(20)18-14-8-13(16)6-5-12(14)9-17/h5-6,8,11H,2-4,7,10H2,1H3,(H,18,20)/t11-/m1/s1.
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide?
N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide has a molecular weight of 291.78 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 2697936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).