(2R)-N-(2-methoxy-5-methylphenyl)-2-piperidin-1-ium-1-ylpropanamide

C16H25N2O2+ — CID 9249574

IUPAC(2R)-N-(2-methoxy-5-methylphenyl)-2-piperidin-1-ium-1-ylpropanamide
SMILESCOc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCCCC1
InChIInChI=1S/C16H24N2O2/c1-12-7-8-15(20-3)14(11-12)17-16(19)13(2)18-9-5-4-6-10-18/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,17,19)/p+1/t13-/m1/s1
InChIKeyPBTYUZWEEGFHQY-CYBMUJFWSA-O
MW277.39 g/mol
LogP1.40
Rot. Bonds4

About (2R)-N-(2-methoxy-5-methylphenyl)-2-piperidin-1-ium-1-ylpropanamide

(2R)-N-(2-methoxy-5-methylphenyl)-2-piperidin-1-ium-1-ylpropanamide (PubChem CID 9249574) has the molecular formula C16H25N2O2+ and a molecular weight of 277.39 g/mol. Its IUPAC name is (2R)-N-(2-methoxy-5-methylphenyl)-2-piperidin-1-ium-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxy-5-methylphenyl)-2-piperidin-1-ium-1-ylpropanamide
PubChem CID9249574
Molecular FormulaC16H25N2O2+
Molecular Weight277.39 g/mol
Exact Mass277.19
IUPAC Name(2R)-N-(2-methoxy-5-methylphenyl)-2-piperidin-1-ium-1-ylpropanamide
SMILESCOc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCCCC1
InChIInChI=1S/C16H24N2O2/c1-12-7-8-15(20-3)14(11-12)17-16(19)13(2)18-9-5-4-6-10-18/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,17,19)/p+1/t13-/m1/s1
InChIKeyPBTYUZWEEGFHQY-CYBMUJFWSA-O
XLogP1.40
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(azepan-1-ium-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 9249893
(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide
CID 9445490
(2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 9275219
(2S)-N-(2-methoxy-5-nitrophenyl)-2-pyrrolidin-1-ium-1-ylpropanamide
CID 7815568
(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide
CID 9446138
(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide
CID 9495106
(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 9444442
(2S)-N-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ium-1-ylpropanamide
CID 9274984
(2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide
CID 7437037
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
(2R)-2-(azepan-1-ium-1-yl)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 9249933
(2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274960

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxy-5-methylphenyl)-2-piperidin-1-ium-1-ylpropanamide?
The IUPAC name of (2R)-N-(2-methoxy-5-methylphenyl)-2-piperidin-1-ium-1-ylpropanamide (CID 9249574) is (2R)-N-(2-methoxy-5-methylphenyl)-2-piperidin-1-ium-1-ylpropanamide.
What is the SMILES notation for (2R)-N-(2-methoxy-5-methylphenyl)-2-piperidin-1-ium-1-ylpropanamide?
The canonical SMILES for (2R)-N-(2-methoxy-5-methylphenyl)-2-piperidin-1-ium-1-ylpropanamide is COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCCCC1.
What is the InChIKey of (2R)-N-(2-methoxy-5-methylphenyl)-2-piperidin-1-ium-1-ylpropanamide?
The InChIKey is PBTYUZWEEGFHQY-CYBMUJFWSA-O. The full InChI is InChI=1S/C16H24N2O2/c1-12-7-8-15(20-3)14(11-12)17-16(19)13(2)18-9-5-4-6-10-18/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,17,19)/p+1/t13-/m1/s1.
What are the key properties of (2R)-N-(2-methoxy-5-methylphenyl)-2-piperidin-1-ium-1-ylpropanamide?
(2R)-N-(2-methoxy-5-methylphenyl)-2-piperidin-1-ium-1-ylpropanamide has a molecular weight of 277.39 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxy-5-methylphenyl)-2-piperidin-1-ium-1-ylpropanamide is sourced from PubChem (CID 9249574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).