N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide

C14H18Cl2N2O — CID 2697918

IUPACN-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
SMILESC[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O/c1-10-4-2-3-7-18(10)9-14(19)17-11-5-6-12(15)13(16)8-11/h5-6,8,10H,2-4,7,9H2,1H3,(H,17,19)/t10-/m0/s1
InChIKeyJEMMMDVTESFIJP-JTQLQIEISA-N
MW301.22 g/mol
LogP3.81
Rot. Bonds3

About N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide

N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide (PubChem CID 2697918) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
PubChem CID2697918
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC NameN-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
SMILESC[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O/c1-10-4-2-3-7-18(10)9-14(19)17-11-5-6-12(15)13(16)8-11/h5-6,8,10H,2-4,7,9H2,1H3,(H,17,19)/t10-/m0/s1
InChIKeyJEMMMDVTESFIJP-JTQLQIEISA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655154
N-(4-acetamidophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 4818604
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8623314
2-[(2S)-2-methylpiperidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 8583231
N-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2697996
N-(4-iodophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697962
N-(4-bromophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655150
N-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583157
N-(3,4-dichlorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942370
N-(4-tert-butylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 18078471
N-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 42890543
N-(3,4-dichlorophenyl)-1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-2-carboxamide
CID 43063787

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide (CID 2697918) is N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide is C[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
The InChIKey is JEMMMDVTESFIJP-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-10-4-2-3-7-18(10)9-14(19)17-11-5-6-12(15)13(16)8-11/h5-6,8,10H,2-4,7,9H2,1H3,(H,17,19)/t10-/m0/s1.
What are the key properties of N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide has a molecular weight of 301.22 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 2697918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).