N-(2-chlorophenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide

C15H22ClN2O+ — CID 6941455

IUPACN-(2-chlorophenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
SMILESC[C@@H]1CCC[NH+](CCC(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C15H21ClN2O/c1-12-5-4-9-18(11-12)10-8-15(19)17-14-7-3-2-6-13(14)16/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,17,19)/p+1/t12-/m1/s1
InChIKeyLJACRDNWPDYOBI-GFCCVEGCSA-O
MW281.81 g/mol
LogP1.98
Rot. Bonds4

About N-(2-chlorophenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide

N-(2-chlorophenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide (PubChem CID 6941455) has the molecular formula C15H22ClN2O+ and a molecular weight of 281.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
PubChem CID6941455
Molecular FormulaC15H22ClN2O+
Molecular Weight281.81 g/mol
Exact Mass281.14
IUPAC NameN-(2-chlorophenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
SMILESC[C@@H]1CCC[NH+](CCC(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C15H21ClN2O/c1-12-5-4-9-18(11-12)10-8-15(19)17-14-7-3-2-6-13(14)16/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,17,19)/p+1/t12-/m1/s1
InChIKeyLJACRDNWPDYOBI-GFCCVEGCSA-O
XLogP1.98
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-chlorophenyl)-3-piperidin-1-ium-1-ylpropanamide
CID 4742381
N-(2,5-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 7343530
N-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 7334604
N-(3,4-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 7343858
N-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 6937838
N-(3-methoxyphenyl)-3-(3-methylpiperidin-1-ium-1-yl)propanamide
CID 4742378
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 7431880
N-(2-chlorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145302
3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-methylphenyl)propanamide
CID 7334329
3-(3,5-dimethylpiperidin-1-ium-1-yl)-N-(2-methylphenyl)propanamide
CID 4742360
2-[(4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-2-yl]-N-(2-chlorophenyl)acetamide
CID 11940542
N-(2-methoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide
CID 7460120

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide (CID 6941455) is N-(2-chlorophenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide is C[C@@H]1CCC[NH+](CCC(=O)Nc2ccccc2Cl)C1.
What is the InChIKey of N-(2-chlorophenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide?
The InChIKey is LJACRDNWPDYOBI-GFCCVEGCSA-O. The full InChI is InChI=1S/C15H21ClN2O/c1-12-5-4-9-18(11-12)10-8-15(19)17-14-7-3-2-6-13(14)16/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,17,19)/p+1/t12-/m1/s1.
What are the key properties of N-(2-chlorophenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide?
N-(2-chlorophenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide has a molecular weight of 281.81 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide is sourced from PubChem (CID 6941455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).