N-(2,5-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide

C17H27N2O+ — CID 7343530

IUPACN-(2,5-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
SMILESCc1ccc(C)c(NC(=O)CC[NH+]2CCC[C@H](C)C2)c1
InChIInChI=1S/C17H26N2O/c1-13-6-7-15(3)16(11-13)18-17(20)8-10-19-9-4-5-14(2)12-19/h6-7,11,14H,4-5,8-10,12H2,1-3H3,(H,18,20)/p+1/t14-/m0/s1
InChIKeyRWRVDPGNLOVBNQ-AWEZNQCLSA-O
MW275.42 g/mol
LogP1.95
Rot. Bonds4

About N-(2,5-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide

N-(2,5-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide (PubChem CID 7343530) has the molecular formula C17H27N2O+ and a molecular weight of 275.42 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
PubChem CID7343530
Molecular FormulaC17H27N2O+
Molecular Weight275.42 g/mol
Exact Mass275.21
IUPAC NameN-(2,5-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
SMILESCc1ccc(C)c(NC(=O)CC[NH+]2CCC[C@H](C)C2)c1
InChIInChI=1S/C17H26N2O/c1-13-6-7-15(3)16(11-13)18-17(20)8-10-19-9-4-5-14(2)12-19/h6-7,11,14H,4-5,8-10,12H2,1-3H3,(H,18,20)/p+1/t14-/m0/s1
InChIKeyRWRVDPGNLOVBNQ-AWEZNQCLSA-O
XLogP1.95
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,5-dimethylphenyl)-3-pyrrolidin-1-ium-1-ylpropanamide
CID 4742184
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-(2,5-dimethylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide
CID 4746710
N-(2-chlorophenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 6941455
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
3-(3,5-dimethylpiperidin-1-ium-1-yl)-N-(2-methylphenyl)propanamide
CID 4742360
1-[2-(2,5-dimethylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8531065
3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 113116404
N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid
CID 171154390
N-(3,4-dimethylphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide
CID 4742128

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide (CID 7343530) is N-(2,5-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide is Cc1ccc(C)c(NC(=O)CC[NH+]2CCC[C@H](C)C2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide?
The InChIKey is RWRVDPGNLOVBNQ-AWEZNQCLSA-O. The full InChI is InChI=1S/C17H26N2O/c1-13-6-7-15(3)16(11-13)18-17(20)8-10-19-9-4-5-14(2)12-19/h6-7,11,14H,4-5,8-10,12H2,1-3H3,(H,18,20)/p+1/t14-/m0/s1.
What are the key properties of N-(2,5-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide?
N-(2,5-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide has a molecular weight of 275.42 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide is sourced from PubChem (CID 7343530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).