1-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;oxalic acid

C22H32N2O7 — CID 123132459

IUPAC1-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;oxalic acid
SMILESCCOc1ccc(CN2CCC(C(=O)NCC3CCCO3)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C20H30N2O3.C2H2O4/c1-2-24-18-7-5-16(6-8-18)15-22-11-9-17(10-12-22)20(23)21-14-19-4-3-13-25-19;3-1(4)2(5)6/h5-8,17,19H,2-4,9-15H2,1H3,(H,21,23);(H,3,4)(H,5,6)
InChIKeyLTSBIOWTXLWHLE-UHFFFAOYSA-N
MW436.51 g/mol
LogP1.75
Rot. Bonds7

About 1-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;oxalic acid

1-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;oxalic acid (PubChem CID 123132459) has the molecular formula C22H32N2O7 and a molecular weight of 436.51 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;oxalic acid.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;oxalic acid
PubChem CID123132459
Molecular FormulaC22H32N2O7
Molecular Weight436.51 g/mol
Exact Mass436.22
IUPAC Name1-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;oxalic acid
SMILESCCOc1ccc(CN2CCC(C(=O)NCC3CCCO3)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C20H30N2O3.C2H2O4/c1-2-24-18-7-5-16(6-8-18)15-22-11-9-17(10-12-22)20(23)21-14-19-4-3-13-25-19;3-1(4)2(5)6/h5-8,17,19H,2-4,9-15H2,1H3,(H,21,23);(H,3,4)(H,5,6)
InChIKeyLTSBIOWTXLWHLE-UHFFFAOYSA-N
XLogP1.75
TPSA125.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[(4-ethylphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 3148903
1-[(4-ethoxy-3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 3160476
1-[(4-ethoxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;oxalic acid
CID 163328544
1-[(2-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 163328027
1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 1071362
1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 1071363
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 26280928
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 45184040
N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46774662
(2R)-1-N-(4-ethoxyphenyl)-2-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide
CID 1443229
N-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 1071352

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;oxalic acid?
The IUPAC name of 1-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;oxalic acid (CID 123132459) is 1-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;oxalic acid.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;oxalic acid?
The canonical SMILES for 1-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;oxalic acid is CCOc1ccc(CN2CCC(C(=O)NCC3CCCO3)CC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 1-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;oxalic acid?
The InChIKey is LTSBIOWTXLWHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3.C2H2O4/c1-2-24-18-7-5-16(6-8-18)15-22-11-9-17(10-12-22)20(23)21-14-19-4-3-13-25-19;3-1(4)2(5)6/h5-8,17,19H,2-4,9-15H2,1H3,(H,21,23);(H,3,4)(H,5,6).
What are the key properties of 1-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;oxalic acid?
1-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;oxalic acid has a molecular weight of 436.51 g/mol, XLogP of 1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;oxalic acid is sourced from PubChem (CID 123132459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).