N-(3,4-dichlorophenyl)-N-methyl-2-piperidin-4-ylacetamide

C14H18Cl2N2O — CID 44814404

IUPACN-(3,4-dichlorophenyl)-N-methyl-2-piperidin-4-ylacetamide
SMILESCN(C(=O)CC1CCNCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O/c1-18(11-2-3-12(15)13(16)9-11)14(19)8-10-4-6-17-7-5-10/h2-3,9-10,17H,4-8H2,1H3
InChIKeyFQVAFMQXFPQOAL-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.35
Rot. Bonds3

About N-(3,4-dichlorophenyl)-N-methyl-2-piperidin-4-ylacetamide

N-(3,4-dichlorophenyl)-N-methyl-2-piperidin-4-ylacetamide (PubChem CID 44814404) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N-methyl-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N-methyl-2-piperidin-4-ylacetamide
PubChem CID44814404
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC NameN-(3,4-dichlorophenyl)-N-methyl-2-piperidin-4-ylacetamide
SMILESCN(C(=O)CC1CCNCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O/c1-18(11-2-3-12(15)13(16)9-11)14(19)8-10-4-6-17-7-5-10/h2-3,9-10,17H,4-8H2,1H3
InChIKeyFQVAFMQXFPQOAL-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N-methyl-2-piperidin-4-ylacetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N-methyl-2-piperidin-4-ylacetamide (CID 44814404) is N-(3,4-dichlorophenyl)-N-methyl-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N-methyl-2-piperidin-4-ylacetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N-methyl-2-piperidin-4-ylacetamide is CN(C(=O)CC1CCNCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N-methyl-2-piperidin-4-ylacetamide?
The InChIKey is FQVAFMQXFPQOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-18(11-2-3-12(15)13(16)9-11)14(19)8-10-4-6-17-7-5-10/h2-3,9-10,17H,4-8H2,1H3.
What are the key properties of N-(3,4-dichlorophenyl)-N-methyl-2-piperidin-4-ylacetamide?
N-(3,4-dichlorophenyl)-N-methyl-2-piperidin-4-ylacetamide has a molecular weight of 301.22 g/mol, XLogP of 3.35, 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)-N-methyl-2-piperidin-4-ylacetamide is sourced from PubChem (CID 44814404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).