1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide

C17H26N3O3+ — CID 8530716

IUPAC1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
SMILESCOc1cccc(CN(C)C(=O)C[NH+]2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C17H25N3O3/c1-19(11-13-4-3-5-15(10-13)23-2)16(21)12-20-8-6-14(7-9-20)17(18)22/h3-5,10,14H,6-9,11-12H2,1-2H3,(H2,18,22)/p+1
InChIKeyAFYPFSVVPJQNPN-UHFFFAOYSA-O
MW320.41 g/mol
LogP-0.57
Rot. Bonds6

About 1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide

1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide (PubChem CID 8530716) has the molecular formula C17H26N3O3+ and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
PubChem CID8530716
Molecular FormulaC17H26N3O3+
Molecular Weight320.41 g/mol
Exact Mass320.20
IUPAC Name1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
SMILESCOc1cccc(CN(C)C(=O)C[NH+]2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C17H25N3O3/c1-19(11-13-4-3-5-15(10-13)23-2)16(21)12-20-8-6-14(7-9-20)17(18)22/h3-5,10,14H,6-9,11-12H2,1-2H3,(H2,18,22)/p+1
InChIKeyAFYPFSVVPJQNPN-UHFFFAOYSA-O
XLogP-0.57
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8772893
2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 9399132
N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904141
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 8721316
ethyl 4-[(3-methoxyphenyl)methyl-methylamino]-4-oxobutanoate
CID 60636296
(2S)-2-amino-N'-[(3-methoxyphenyl)methyl]-N'-methylpentanediamide
CID 58987433
2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272
2-(1-aminocyclohexyl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 64684867
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 134058368
1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
CID 63912379

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide (CID 8530716) is 1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide is COc1cccc(CN(C)C(=O)C[NH+]2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide?
The InChIKey is AFYPFSVVPJQNPN-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H25N3O3/c1-19(11-13-4-3-5-15(10-13)23-2)16(21)12-20-8-6-14(7-9-20)17(18)22/h3-5,10,14H,6-9,11-12H2,1-2H3,(H2,18,22)/p+1.
What are the key properties of 1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide?
1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide has a molecular weight of 320.41 g/mol, XLogP of -0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 8530716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).