2-(3,4-dichlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-piperidin-1-ylbutan-2-yl]acetamide

C19H28Cl2N2O — CID 15130827

IUPAC2-(3,4-dichlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-piperidin-1-ylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](CN1CCCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H28Cl2N2O/c1-14(2)18(13-23-9-5-4-6-10-23)22(3)19(24)12-15-7-8-16(20)17(21)11-15/h7-8,11,14,18H,4-6,9-10,12-13H2,1-3H3/t18-/m1/s1
InChIKeyBMSLJPQGUMZLNE-GOSISDBHSA-N
MW371.35 g/mol
LogP4.50
Rot. Bonds6

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

2-(3,4-dichlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-piperidin-1-ylbutan-2-yl]acetamide (PubChem CID 15130827) has the molecular formula C19H28Cl2N2O and a molecular weight of 371.35 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-piperidin-1-ylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-piperidin-1-ylbutan-2-yl]acetamide
PubChem CID15130827
Molecular FormulaC19H28Cl2N2O
Molecular Weight371.35 g/mol
Exact Mass370.16
IUPAC Name2-(3,4-dichlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-piperidin-1-ylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](CN1CCCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H28Cl2N2O/c1-14(2)18(13-23-9-5-4-6-10-23)22(3)19(24)12-15-7-8-16(20)17(21)11-15/h7-8,11,14,18H,4-6,9-10,12-13H2,1-3H3/t18-/m1/s1
InChIKeyBMSLJPQGUMZLNE-GOSISDBHSA-N
XLogP4.50
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-piperidin-1-ylbutan-2-yl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-piperidin-1-ylbutan-2-yl]acetamide (CID 15130827) is 2-(3,4-dichlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-piperidin-1-ylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-piperidin-1-ylbutan-2-yl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-piperidin-1-ylbutan-2-yl]acetamide is CC(C)[C@@H](CN1CCCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-piperidin-1-ylbutan-2-yl]acetamide?
The InChIKey is BMSLJPQGUMZLNE-GOSISDBHSA-N. The full InChI is InChI=1S/C19H28Cl2N2O/c1-14(2)18(13-23-9-5-4-6-10-23)22(3)19(24)12-15-7-8-16(20)17(21)11-15/h7-8,11,14,18H,4-6,9-10,12-13H2,1-3H3/t18-/m1/s1.
What are the key properties of 2-(3,4-dichlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-piperidin-1-ylbutan-2-yl]acetamide?
2-(3,4-dichlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-piperidin-1-ylbutan-2-yl]acetamide has a molecular weight of 371.35 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-piperidin-1-ylbutan-2-yl]acetamide is sourced from PubChem (CID 15130827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).