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

C17H24Cl2N2O — CID 3039080

IUPACN-[1-(3,4-dichlorophenyl)propyl]-2-(4-methylpiperidin-1-yl)acetamide
SMILESCCC(NC(=O)CN1CCC(C)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H24Cl2N2O/c1-3-16(13-4-5-14(18)15(19)10-13)20-17(22)11-21-8-6-12(2)7-9-21/h4-5,10,12,16H,3,6-9,11H2,1-2H3,(H,20,22)
InChIKeyBOOYHMUXASJZOE-UHFFFAOYSA-N
MW343.30 g/mol
LogP4.29
Rot. Bonds5

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

N-[1-(3,4-dichlorophenyl)propyl]-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 3039080) has the molecular formula C17H24Cl2N2O and a molecular weight of 343.30 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)propyl]-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)propyl]-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID3039080
Molecular FormulaC17H24Cl2N2O
Molecular Weight343.30 g/mol
Exact Mass342.13
IUPAC NameN-[1-(3,4-dichlorophenyl)propyl]-2-(4-methylpiperidin-1-yl)acetamide
SMILESCCC(NC(=O)CN1CCC(C)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H24Cl2N2O/c1-3-16(13-4-5-14(18)15(19)10-13)20-17(22)11-21-8-6-12(2)7-9-21/h4-5,10,12,16H,3,6-9,11H2,1-2H3,(H,20,22)
InChIKeyBOOYHMUXASJZOE-UHFFFAOYSA-N
XLogP4.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-2-(4-methylpiperidin-1-yl)acetamide (CID 3039080) is N-[1-(3,4-dichlorophenyl)propyl]-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)propyl]-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)propyl]-2-(4-methylpiperidin-1-yl)acetamide is CCC(NC(=O)CN1CCC(C)CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)propyl]-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is BOOYHMUXASJZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O/c1-3-16(13-4-5-14(18)15(19)10-13)20-17(22)11-21-8-6-12(2)7-9-21/h4-5,10,12,16H,3,6-9,11H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(3,4-dichlorophenyl)propyl]-2-(4-methylpiperidin-1-yl)acetamide?
N-[1-(3,4-dichlorophenyl)propyl]-2-(4-methylpiperidin-1-yl)acetamide has a molecular weight of 343.30 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)propyl]-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 3039080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).