N-(3-chloro-4-fluorophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide

C14H19ClFN2O+ — CID 2681737

IUPACN-(3-chloro-4-fluorophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
SMILESC[C@@H]1CCC[NH+](CC(=O)Nc2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C14H18ClFN2O/c1-10-3-2-6-18(8-10)9-14(19)17-11-4-5-13(16)12(15)7-11/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,17,19)/p+1/t10-/m1/s1
InChIKeyGHJZONQFUUHJOS-SNVBAGLBSA-O
MW285.77 g/mol
LogP1.73
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide

N-(3-chloro-4-fluorophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide (PubChem CID 2681737) has the molecular formula C14H19ClFN2O+ and a molecular weight of 285.77 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
PubChem CID2681737
Molecular FormulaC14H19ClFN2O+
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
SMILESC[C@@H]1CCC[NH+](CC(=O)Nc2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C14H18ClFN2O/c1-10-3-2-6-18(8-10)9-14(19)17-11-4-5-13(16)12(15)7-11/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,17,19)/p+1/t10-/m1/s1
InChIKeyGHJZONQFUUHJOS-SNVBAGLBSA-O
XLogP1.73
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl (3S)-1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate
CID 8532536
N-(4-acetamidophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 8903579
N-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 6937838
N-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2681830
N-(2,4-difluorophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2681833
N-(4-methoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2681839
(3R)-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305299
(3S)-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305296
N-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 2655007
2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 6941185
2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7434576
2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8903503

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide (CID 2681737) is N-(3-chloro-4-fluorophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide is C[C@@H]1CCC[NH+](CC(=O)Nc2ccc(F)c(Cl)c2)C1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide?
The InChIKey is GHJZONQFUUHJOS-SNVBAGLBSA-O. The full InChI is InChI=1S/C14H18ClFN2O/c1-10-3-2-6-18(8-10)9-14(19)17-11-4-5-13(16)12(15)7-11/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,17,19)/p+1/t10-/m1/s1.
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide has a molecular weight of 285.77 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 2681737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).