N-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide

C16H25N2O+ — CID 7334604

IUPACN-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
SMILESCc1ccc(NC(=O)CC[NH+]2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C16H24N2O/c1-13-5-7-15(8-6-13)17-16(19)9-11-18-10-3-4-14(2)12-18/h5-8,14H,3-4,9-12H2,1-2H3,(H,17,19)/p+1/t14-/m1/s1
InChIKeyVHHJIBFVHLXRRD-CQSZACIVSA-O
MW261.39 g/mol
LogP1.64
Rot. Bonds4

About N-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide

N-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide (PubChem CID 7334604) has the molecular formula C16H25N2O+ and a molecular weight of 261.39 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
PubChem CID7334604
Molecular FormulaC16H25N2O+
Molecular Weight261.39 g/mol
Exact Mass261.20
IUPAC NameN-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
SMILESCc1ccc(NC(=O)CC[NH+]2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C16H24N2O/c1-13-5-7-15(8-6-13)17-16(19)9-11-18-10-3-4-14(2)12-18/h5-8,14H,3-4,9-12H2,1-2H3,(H,17,19)/p+1/t14-/m1/s1
InChIKeyVHHJIBFVHLXRRD-CQSZACIVSA-O
XLogP1.64
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.64
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-(2,5-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 7343530
N-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 6937838
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 7431880
N-(4-acetamidophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 8903579
N-(3-methoxyphenyl)-3-(3-methylpiperidin-1-ium-1-yl)propanamide
CID 4742378
N-(2-chlorophenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 6941455
N-(4-methylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide
CID 4678806
N-(4-methoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2681839
N-(4-bromophenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide
CID 6941596
ethyl (3R)-1-[3-(4-methoxyanilino)-3-oxopropyl]piperidin-1-ium-3-carboxylate
CID 6952853
3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-phenylpropanamide
CID 7460108

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide?
The IUPAC name of N-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide (CID 7334604) is N-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide.
What is the SMILES notation for N-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide?
The canonical SMILES for N-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide is Cc1ccc(NC(=O)CC[NH+]2CCC[C@@H](C)C2)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide?
The InChIKey is VHHJIBFVHLXRRD-CQSZACIVSA-O. The full InChI is InChI=1S/C16H24N2O/c1-13-5-7-15(8-6-13)17-16(19)9-11-18-10-3-4-14(2)12-18/h5-8,14H,3-4,9-12H2,1-2H3,(H,17,19)/p+1/t14-/m1/s1.
What are the key properties of N-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide?
N-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide has a molecular weight of 261.39 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide is sourced from PubChem (CID 7334604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).