N-[1-(3,4-dichlorophenyl)propyl]-2-piperidin-1-ylacetamide

C16H22Cl2N2O — CID 3039077

IUPACN-[1-(3,4-dichlorophenyl)propyl]-2-piperidin-1-ylacetamide
SMILESCCC(NC(=O)CN1CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2O/c1-2-15(12-6-7-13(17)14(18)10-12)19-16(21)11-20-8-4-3-5-9-20/h6-7,10,15H,2-5,8-9,11H2,1H3,(H,19,21)
InChIKeyHXJMRVPDAOMHGH-UHFFFAOYSA-N
MW329.27 g/mol
LogP4.05
Rot. Bonds5

About N-[1-(3,4-dichlorophenyl)propyl]-2-piperidin-1-ylacetamide

N-[1-(3,4-dichlorophenyl)propyl]-2-piperidin-1-ylacetamide (PubChem CID 3039077) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)propyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)propyl]-2-piperidin-1-ylacetamide
PubChem CID3039077
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC NameN-[1-(3,4-dichlorophenyl)propyl]-2-piperidin-1-ylacetamide
SMILESCCC(NC(=O)CN1CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2O/c1-2-15(12-6-7-13(17)14(18)10-12)19-16(21)11-20-8-4-3-5-9-20/h6-7,10,15H,2-5,8-9,11H2,1H3,(H,19,21)
InChIKeyHXJMRVPDAOMHGH-UHFFFAOYSA-N
XLogP4.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 54.05
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-piperidin-1-ylacetamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-2-piperidin-1-ylacetamide (CID 3039077) is N-[1-(3,4-dichlorophenyl)propyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)propyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)propyl]-2-piperidin-1-ylacetamide is CCC(NC(=O)CN1CCCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)propyl]-2-piperidin-1-ylacetamide?
The InChIKey is HXJMRVPDAOMHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-2-15(12-6-7-13(17)14(18)10-12)19-16(21)11-20-8-4-3-5-9-20/h6-7,10,15H,2-5,8-9,11H2,1H3,(H,19,21).
What are the key properties of N-[1-(3,4-dichlorophenyl)propyl]-2-piperidin-1-ylacetamide?
N-[1-(3,4-dichlorophenyl)propyl]-2-piperidin-1-ylacetamide has a molecular weight of 329.27 g/mol, XLogP of 4.05, 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-piperidin-1-ylacetamide is sourced from PubChem (CID 3039077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).