1-[(4-ethoxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;oxalic acid

C20H30N2O6 — CID 163328544

IUPAC1-[(4-ethoxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;oxalic acid
SMILESCCOc1ccc(CN2CCC(C(=O)NC(C)C)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C18H28N2O2.C2H2O4/c1-4-22-17-7-5-15(6-8-17)13-20-11-9-16(10-12-20)18(21)19-14(2)3;3-1(4)2(5)6/h5-8,14,16H,4,9-13H2,1-3H3,(H,19,21);(H,3,4)(H,5,6)
InChIKeyLELUMGUCCCZERP-UHFFFAOYSA-N
MW394.47 g/mol
LogP1.98
Rot. Bonds6

About 1-[(4-ethoxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;oxalic acid

1-[(4-ethoxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;oxalic acid (PubChem CID 163328544) has the molecular formula C20H30N2O6 and a molecular weight of 394.47 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;oxalic acid.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;oxalic acid
PubChem CID163328544
Molecular FormulaC20H30N2O6
Molecular Weight394.47 g/mol
Exact Mass394.21
IUPAC Name1-[(4-ethoxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;oxalic acid
SMILESCCOc1ccc(CN2CCC(C(=O)NC(C)C)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C18H28N2O2.C2H2O4/c1-4-22-17-7-5-15(6-8-17)13-20-11-9-16(10-12-20)18(21)19-14(2)3;3-1(4)2(5)6/h5-8,14,16H,4,9-13H2,1-3H3,(H,19,21);(H,3,4)(H,5,6)
InChIKeyLELUMGUCCCZERP-UHFFFAOYSA-N
XLogP1.98
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;oxalic acid
CID 123132459
1-[(4-ethoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid
CID 2902011
N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46774662
1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide;oxalic acid
CID 2903427
1-[(3-bromophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;oxalic acid
CID 163328458
N-(1-methoxypropan-2-yl)-1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 51361898
1-[(4-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 51361840
1-[(4-chlorophenyl)methyl]-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 94013561
1-[(4-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
CID 51361839
1-[[4-(2-ethoxyethoxy)phenyl]methyl]piperidine-4-carbohydrazide
CID 54848362
1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5233671
ethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylate;oxalic acid
CID 23724214

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;oxalic acid?
The IUPAC name of 1-[(4-ethoxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;oxalic acid (CID 163328544) is 1-[(4-ethoxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;oxalic acid.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;oxalic acid?
The canonical SMILES for 1-[(4-ethoxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;oxalic acid is CCOc1ccc(CN2CCC(C(=O)NC(C)C)CC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 1-[(4-ethoxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;oxalic acid?
The InChIKey is LELUMGUCCCZERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.C2H2O4/c1-4-22-17-7-5-15(6-8-17)13-20-11-9-16(10-12-20)18(21)19-14(2)3;3-1(4)2(5)6/h5-8,14,16H,4,9-13H2,1-3H3,(H,19,21);(H,3,4)(H,5,6).
What are the key properties of 1-[(4-ethoxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;oxalic acid?
1-[(4-ethoxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;oxalic acid has a molecular weight of 394.47 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;oxalic acid is sourced from PubChem (CID 163328544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).