2-[piperidin-4-yl(propyl)amino]-N-(2,4,6-trichlorophenyl)acetamide

C16H22Cl3N3O — CID 119932936

IUPAC2-[piperidin-4-yl(propyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C1CCNCC1
InChIInChI=1S/C16H22Cl3N3O/c1-2-7-22(12-3-5-20-6-4-12)10-15(23)21-16-13(18)8-11(17)9-14(16)19/h8-9,12,20H,2-7,10H2,1H3,(H,21,23)
InChIKeyBTXLJPPUSCJTDF-UHFFFAOYSA-N
MW378.73 g/mol
LogP4.05
Rot. Bonds6

About 2-[piperidin-4-yl(propyl)amino]-N-(2,4,6-trichlorophenyl)acetamide

2-[piperidin-4-yl(propyl)amino]-N-(2,4,6-trichlorophenyl)acetamide (PubChem CID 119932936) has the molecular formula C16H22Cl3N3O and a molecular weight of 378.73 g/mol. Its IUPAC name is 2-[piperidin-4-yl(propyl)amino]-N-(2,4,6-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[piperidin-4-yl(propyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
PubChem CID119932936
Molecular FormulaC16H22Cl3N3O
Molecular Weight378.73 g/mol
Exact Mass377.08
IUPAC Name2-[piperidin-4-yl(propyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C1CCNCC1
InChIInChI=1S/C16H22Cl3N3O/c1-2-7-22(12-3-5-20-6-4-12)10-15(23)21-16-13(18)8-11(17)9-14(16)19/h8-9,12,20H,2-7,10H2,1H3,(H,21,23)
InChIKeyBTXLJPPUSCJTDF-UHFFFAOYSA-N
XLogP4.05
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.73
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[piperidin-4-yl(propyl)amino]acetamide
CID 119933053
N-(2,6-dichlorophenyl)-3-[piperidin-4-yl(propyl)amino]propanamide
CID 119932799
N-(3,4-dimethylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide
CID 119933101
N-ethyl-2-[piperidin-4-yl(propyl)amino]acetamide
CID 60807335
N-(3-chloro-4-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921601
N-(2-amino-4,6-dichlorophenyl)-3-[cyclopropyl(propyl)amino]propanamide
CID 43269987
2-[piperidin-4-yl(propyl)amino]-N-(3-propan-2-ylphenyl)acetamide
CID 119932780
N-(4-bromo-3-methylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
CID 119932900
N-(2-amino-4,6-dichlorophenyl)-2-[cyclopentyl(ethyl)amino]acetamide
CID 43540670
N-(5-bromo-2-pyridinyl)-2-[piperidin-4-yl(propyl)amino]acetamide
CID 60806990
N-(2,6-dichlorophenyl)-3-[propyl(pyrrolidin-3-yl)amino]propanamide
CID 119921476
N-(2-methoxy-5-methylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
CID 119932950

Frequently Asked Questions

What is the IUPAC name of 2-[piperidin-4-yl(propyl)amino]-N-(2,4,6-trichlorophenyl)acetamide?
The IUPAC name of 2-[piperidin-4-yl(propyl)amino]-N-(2,4,6-trichlorophenyl)acetamide (CID 119932936) is 2-[piperidin-4-yl(propyl)amino]-N-(2,4,6-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[piperidin-4-yl(propyl)amino]-N-(2,4,6-trichlorophenyl)acetamide?
The canonical SMILES for 2-[piperidin-4-yl(propyl)amino]-N-(2,4,6-trichlorophenyl)acetamide is CCCN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C1CCNCC1.
What is the InChIKey of 2-[piperidin-4-yl(propyl)amino]-N-(2,4,6-trichlorophenyl)acetamide?
The InChIKey is BTXLJPPUSCJTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl3N3O/c1-2-7-22(12-3-5-20-6-4-12)10-15(23)21-16-13(18)8-11(17)9-14(16)19/h8-9,12,20H,2-7,10H2,1H3,(H,21,23).
What are the key properties of 2-[piperidin-4-yl(propyl)amino]-N-(2,4,6-trichlorophenyl)acetamide?
2-[piperidin-4-yl(propyl)amino]-N-(2,4,6-trichlorophenyl)acetamide has a molecular weight of 378.73 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[piperidin-4-yl(propyl)amino]-N-(2,4,6-trichlorophenyl)acetamide is sourced from PubChem (CID 119932936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).