N-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide

C15H21F2N2O+ — CID 6937838

IUPACN-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
SMILESC[C@H]1CCC[NH+](CCC(=O)Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H20F2N2O/c1-11-3-2-7-19(10-11)8-6-15(20)18-12-4-5-13(16)14(17)9-12/h4-5,9,11H,2-3,6-8,10H2,1H3,(H,18,20)/p+1/t11-/m0/s1
InChIKeyXBRDMWBCZJNOGI-NSHDSACASA-O
MW283.34 g/mol
LogP1.61
Rot. Bonds4

About N-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide

N-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide (PubChem CID 6937838) has the molecular formula C15H21F2N2O+ and a molecular weight of 283.34 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
PubChem CID6937838
Molecular FormulaC15H21F2N2O+
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC NameN-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
SMILESC[C@H]1CCC[NH+](CCC(=O)Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H20F2N2O/c1-11-3-2-7-19(10-11)8-6-15(20)18-12-4-5-13(16)14(17)9-12/h4-5,9,11H,2-3,6-8,10H2,1H3,(H,18,20)/p+1/t11-/m0/s1
InChIKeyXBRDMWBCZJNOGI-NSHDSACASA-O
XLogP1.61
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,4-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 7343858
N-(3,4-difluorophenyl)-3-pyrrolidin-1-ium-1-ylpropanamide
CID 4742166
N-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 7334604
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 7431880
N-(3-methoxyphenyl)-3-(3-methylpiperidin-1-ium-1-yl)propanamide
CID 4742378
N-(3-chloro-4-fluorophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2681737
N-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 2655007
N-(2,5-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 7343530
N-(2-chlorophenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 6941455
N-(4-acetamidophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 8903579
ethyl 4-[3-(3,4-difluoroanilino)-3-oxopropyl]piperazin-4-ium-1-carboxylate
CID 5159237
N-(3,4-difluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145276

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide (CID 6937838) is N-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide is C[C@H]1CCC[NH+](CCC(=O)Nc2ccc(F)c(F)c2)C1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide?
The InChIKey is XBRDMWBCZJNOGI-NSHDSACASA-O. The full InChI is InChI=1S/C15H20F2N2O/c1-11-3-2-7-19(10-11)8-6-15(20)18-12-4-5-13(16)14(17)9-12/h4-5,9,11H,2-3,6-8,10H2,1H3,(H,18,20)/p+1/t11-/m0/s1.
What are the key properties of N-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide?
N-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide has a molecular weight of 283.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide is sourced from PubChem (CID 6937838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).