N-[3-chloro-2-(4-methylpiperidin-1-yl)phenyl]-2-cyanoacetamide

C15H18ClN3O — CID 168520953

IUPACN-[3-chloro-2-(4-methylpiperidin-1-yl)phenyl]-2-cyanoacetamide
SMILESCC1CCN(c2c(Cl)cccc2NC(=O)CC#N)CC1
InChIInChI=1S/C15H18ClN3O/c1-11-6-9-19(10-7-11)15-12(16)3-2-4-13(15)18-14(20)5-8-17/h2-4,11H,5-7,9-10H2,1H3,(H,18,20)
InChIKeyINIYXKATBMHRJY-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.43
Rot. Bonds3

About N-[3-chloro-2-(4-methylpiperidin-1-yl)phenyl]-2-cyanoacetamide

N-[3-chloro-2-(4-methylpiperidin-1-yl)phenyl]-2-cyanoacetamide (PubChem CID 168520953) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[3-chloro-2-(4-methylpiperidin-1-yl)phenyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[3-chloro-2-(4-methylpiperidin-1-yl)phenyl]-2-cyanoacetamide
PubChem CID168520953
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[3-chloro-2-(4-methylpiperidin-1-yl)phenyl]-2-cyanoacetamide
SMILESCC1CCN(c2c(Cl)cccc2NC(=O)CC#N)CC1
InChIInChI=1S/C15H18ClN3O/c1-11-6-9-19(10-7-11)15-12(16)3-2-4-13(15)18-14(20)5-8-17/h2-4,11H,5-7,9-10H2,1H3,(H,18,20)
InChIKeyINIYXKATBMHRJY-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-2-(4-methylpiperidin-1-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168607225
N-(3-chloro-2-pyrrolidin-1-ylphenyl)propanamide
CID 4308425
N-(3-chloro-2-piperidin-1-ylphenyl)propanamide
CID 4297017
2-cyano-N-[5-fluoro-2-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 168523364
1-chloro-3-[3-chloro-2-(4-methylpiperidin-1-yl)anilino]propan-2-ol
CID 168637385
methyl 2-chloro-6-[(2-cyanoacetyl)amino]benzoate
CID 168520573
N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide
CID 17027292
2-cyano-N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 168523033
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]butanamide
CID 952456
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]butanamide
CID 17018500
2-cyano-N-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 168521227
2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 168523258

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(4-methylpiperidin-1-yl)phenyl]-2-cyanoacetamide?
The IUPAC name of N-[3-chloro-2-(4-methylpiperidin-1-yl)phenyl]-2-cyanoacetamide (CID 168520953) is N-[3-chloro-2-(4-methylpiperidin-1-yl)phenyl]-2-cyanoacetamide.
What is the SMILES notation for N-[3-chloro-2-(4-methylpiperidin-1-yl)phenyl]-2-cyanoacetamide?
The canonical SMILES for N-[3-chloro-2-(4-methylpiperidin-1-yl)phenyl]-2-cyanoacetamide is CC1CCN(c2c(Cl)cccc2NC(=O)CC#N)CC1.
What is the InChIKey of N-[3-chloro-2-(4-methylpiperidin-1-yl)phenyl]-2-cyanoacetamide?
The InChIKey is INIYXKATBMHRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-11-6-9-19(10-7-11)15-12(16)3-2-4-13(15)18-14(20)5-8-17/h2-4,11H,5-7,9-10H2,1H3,(H,18,20).
What are the key properties of N-[3-chloro-2-(4-methylpiperidin-1-yl)phenyl]-2-cyanoacetamide?
N-[3-chloro-2-(4-methylpiperidin-1-yl)phenyl]-2-cyanoacetamide has a molecular weight of 291.78 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(4-methylpiperidin-1-yl)phenyl]-2-cyanoacetamide is sourced from PubChem (CID 168520953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).