1-[(2-methoxy-5-methylphenyl)methyl]piperidin-1-ium-4-carboxamide

C15H23N2O2+ — CID 9442824

IUPAC1-[(2-methoxy-5-methylphenyl)methyl]piperidin-1-ium-4-carboxamide
SMILESCOc1ccc(C)cc1C[NH+]1CCC(C(N)=O)CC1
InChIInChI=1S/C15H22N2O2/c1-11-3-4-14(19-2)13(9-11)10-17-7-5-12(6-8-17)15(16)18/h3-4,9,12H,5-8,10H2,1-2H3,(H2,16,18)/p+1
InChIKeyIDTAMHBKCJCVSV-UHFFFAOYSA-O
MW263.36 g/mol
LogP0.28
Rot. Bonds4

About 1-[(2-methoxy-5-methylphenyl)methyl]piperidin-1-ium-4-carboxamide

1-[(2-methoxy-5-methylphenyl)methyl]piperidin-1-ium-4-carboxamide (PubChem CID 9442824) has the molecular formula C15H23N2O2+ and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-[(2-methoxy-5-methylphenyl)methyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[(2-methoxy-5-methylphenyl)methyl]piperidin-1-ium-4-carboxamide
PubChem CID9442824
Molecular FormulaC15H23N2O2+
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name1-[(2-methoxy-5-methylphenyl)methyl]piperidin-1-ium-4-carboxamide
SMILESCOc1ccc(C)cc1C[NH+]1CCC(C(N)=O)CC1
InChIInChI=1S/C15H22N2O2/c1-11-3-4-14(19-2)13(9-11)10-17-7-5-12(6-8-17)15(16)18/h3-4,9,12H,5-8,10H2,1-2H3,(H2,16,18)/p+1
InChIKeyIDTAMHBKCJCVSV-UHFFFAOYSA-O
XLogP0.28
TPSA56.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-cyclopropylethyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8997867
(3aS,7aS)-2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 9320305
methyl (2S,3R)-2-[[2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]-3-methylpentanoate
CID 8997792
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]piperidin-1-ium-4-carboxamide
CID 9443217
(3aR,7aR)-2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 9320320
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone
CID 80601651
N-(2-fluoro-4-methylphenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8997285
1-[(2-methoxy-5-methylphenyl)methyl]-4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-ium
CID 9191483
(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]propan-1-one
CID 8997420
1-[2-(4-methylphenoxy)ethyl]piperidin-1-ium-4-carboxamide
CID 9442889
N-(2,6-difluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8997053
N-(2-cyanopropan-2-yl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methylacetamide
CID 8997749

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]piperidin-1-ium-4-carboxamide (CID 9442824) is 1-[(2-methoxy-5-methylphenyl)methyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[(2-methoxy-5-methylphenyl)methyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[(2-methoxy-5-methylphenyl)methyl]piperidin-1-ium-4-carboxamide is COc1ccc(C)cc1C[NH+]1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(2-methoxy-5-methylphenyl)methyl]piperidin-1-ium-4-carboxamide?
The InChIKey is IDTAMHBKCJCVSV-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H22N2O2/c1-11-3-4-14(19-2)13(9-11)10-17-7-5-12(6-8-17)15(16)18/h3-4,9,12H,5-8,10H2,1-2H3,(H2,16,18)/p+1.
What are the key properties of 1-[(2-methoxy-5-methylphenyl)methyl]piperidin-1-ium-4-carboxamide?
1-[(2-methoxy-5-methylphenyl)methyl]piperidin-1-ium-4-carboxamide has a molecular weight of 263.36 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-5-methylphenyl)methyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 9442824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).