N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-methoxyacetamide

C15H20Cl2N2O2 — CID 86993237

IUPACN-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H20Cl2N2O2/c1-21-10-15(20)18-12-4-6-19(7-5-12)9-11-2-3-13(16)14(17)8-11/h2-3,8,12H,4-7,9-10H2,1H3,(H,18,20)
InChIKeyYWWYTRUZGWICHZ-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.72
Rot. Bonds5

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

N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-methoxyacetamide (PubChem CID 86993237) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-methoxyacetamide
PubChem CID86993237
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H20Cl2N2O2/c1-21-10-15(20)18-12-4-6-19(7-5-12)9-11-2-3-13(16)14(17)8-11/h2-3,8,12H,4-7,9-10H2,1H3,(H,18,20)
InChIKeyYWWYTRUZGWICHZ-UHFFFAOYSA-N
XLogP2.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-pyrimidin-2-yloxyacetamide
CID 22396240
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
methyl 4-[3-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzoate
CID 68955678
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 46596758
lithium;4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-4-oxobutanoic acid;hydride
CID 173119954
2-(3,4-dichlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 52719023
2-(3,4-dichlorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide
CID 17173850
(2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride
CID 119883495
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 75370235
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-phenylsulfanylpropanamide
CID 22396246
4-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzoic acid
CID 24745154
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 55847982

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-methoxyacetamide (CID 86993237) is N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-methoxyacetamide is COCC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-methoxyacetamide?
The InChIKey is YWWYTRUZGWICHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-21-10-15(20)18-12-4-6-19(7-5-12)9-11-2-3-13(16)14(17)8-11/h2-3,8,12H,4-7,9-10H2,1H3,(H,18,20).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-methoxyacetamide?
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-methoxyacetamide has a molecular weight of 331.24 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 86993237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).