1-[(4-ethoxy-3-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide

C24H33N2O3+ — CID 7324355

IUPAC1-[(4-ethoxy-3-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide
SMILESCCOc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)cc1OC
InChIInChI=1S/C24H32N2O3/c1-4-29-22-11-10-19(16-23(22)28-3)17-26-14-12-21(13-15-26)24(27)25-18(2)20-8-6-5-7-9-20/h5-11,16,18,21H,4,12-15,17H2,1-3H3,(H,25,27)/p+1/t18-/m1/s1
InChIKeyQDOHAPSPBNXXPF-GOSISDBHSA-O
MW397.54 g/mol
LogP2.77
Rot. Bonds8

About 1-[(4-ethoxy-3-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide

1-[(4-ethoxy-3-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide (PubChem CID 7324355) has the molecular formula C24H33N2O3+ and a molecular weight of 397.54 g/mol. Its IUPAC name is 1-[(4-ethoxy-3-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[(4-ethoxy-3-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide
PubChem CID7324355
Molecular FormulaC24H33N2O3+
Molecular Weight397.54 g/mol
Exact Mass397.25
IUPAC Name1-[(4-ethoxy-3-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide
SMILESCCOc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)cc1OC
InChIInChI=1S/C24H32N2O3/c1-4-29-22-11-10-19(16-23(22)28-3)17-26-14-12-21(13-15-26)24(27)25-18(2)20-8-6-5-7-9-20/h5-11,16,18,21H,4,12-15,17H2,1-3H3,(H,25,27)/p+1/t18-/m1/s1
InChIKeyQDOHAPSPBNXXPF-GOSISDBHSA-O
XLogP2.77
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-ethoxy-3-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide with MolForge

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide
CID 7324238
1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate
CID 7297417
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 8721048
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 3914392
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 42958517
[3-[[1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium
CID 7323464
N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7324125
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 8798523
1-[(2-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide
CID 7334954
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7303839
N-[(2R)-1-[(4-ethoxy-3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 94456240
1-[(2-ethoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 7334962

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxy-3-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[(4-ethoxy-3-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide (CID 7324355) is 1-[(4-ethoxy-3-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[(4-ethoxy-3-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[(4-ethoxy-3-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide is CCOc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)cc1OC.
What is the InChIKey of 1-[(4-ethoxy-3-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide?
The InChIKey is QDOHAPSPBNXXPF-GOSISDBHSA-O. The full InChI is InChI=1S/C24H32N2O3/c1-4-29-22-11-10-19(16-23(22)28-3)17-26-14-12-21(13-15-26)24(27)25-18(2)20-8-6-5-7-9-20/h5-11,16,18,21H,4,12-15,17H2,1-3H3,(H,25,27)/p+1/t18-/m1/s1.
What are the key properties of 1-[(4-ethoxy-3-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide?
1-[(4-ethoxy-3-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide has a molecular weight of 397.54 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxy-3-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 7324355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).