N-(3-chloro-4-fluorophenyl)-2-[piperidin-4-yl(propyl)amino]acetamide

C16H23ClFN3O — CID 119933053

IUPACN-(3-chloro-4-fluorophenyl)-2-[piperidin-4-yl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(Cl)c1)C1CCNCC1
InChIInChI=1S/C16H23ClFN3O/c1-2-9-21(13-5-7-19-8-6-13)11-16(22)20-12-3-4-15(18)14(17)10-12/h3-4,10,13,19H,2,5-9,11H2,1H3,(H,20,22)
InChIKeyXQAWQWRAWSPDLC-UHFFFAOYSA-N
MW327.83 g/mol
LogP2.88
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-2-[piperidin-4-yl(propyl)amino]acetamide

N-(3-chloro-4-fluorophenyl)-2-[piperidin-4-yl(propyl)amino]acetamide (PubChem CID 119933053) has the molecular formula C16H23ClFN3O and a molecular weight of 327.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[piperidin-4-yl(propyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[piperidin-4-yl(propyl)amino]acetamide
PubChem CID119933053
Molecular FormulaC16H23ClFN3O
Molecular Weight327.83 g/mol
Exact Mass327.15
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[piperidin-4-yl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(Cl)c1)C1CCNCC1
InChIInChI=1S/C16H23ClFN3O/c1-2-9-21(13-5-7-19-8-6-13)11-16(22)20-12-3-4-15(18)14(17)10-12/h3-4,10,13,19H,2,5-9,11H2,1H3,(H,20,22)
InChIKeyXQAWQWRAWSPDLC-UHFFFAOYSA-N
XLogP2.88
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.83
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide
CID 119933101
N-(3-chloro-4-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921601
2-[piperidin-4-yl(propyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 119932936
N-(3-chloro-4-fluorophenyl)-2-[cyclopropyl(4-hydroxybutyl)amino]acetamide
CID 111431998
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-(4-fluorophenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921606
N-(3-chloro-4-fluorophenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63643377
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607288
N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 119921603
2-[azetidin-3-yl(propyl)amino]-N-(4-fluorophenyl)acetamide
CID 66213900
N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607404

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[piperidin-4-yl(propyl)amino]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[piperidin-4-yl(propyl)amino]acetamide (CID 119933053) is N-(3-chloro-4-fluorophenyl)-2-[piperidin-4-yl(propyl)amino]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[piperidin-4-yl(propyl)amino]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[piperidin-4-yl(propyl)amino]acetamide is CCCN(CC(=O)Nc1ccc(F)c(Cl)c1)C1CCNCC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[piperidin-4-yl(propyl)amino]acetamide?
The InChIKey is XQAWQWRAWSPDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN3O/c1-2-9-21(13-5-7-19-8-6-13)11-16(22)20-12-3-4-15(18)14(17)10-12/h3-4,10,13,19H,2,5-9,11H2,1H3,(H,20,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[piperidin-4-yl(propyl)amino]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[piperidin-4-yl(propyl)amino]acetamide has a molecular weight of 327.83 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[piperidin-4-yl(propyl)amino]acetamide is sourced from PubChem (CID 119933053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).