1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide;oxalic acid

C20H30N2O6 — CID 2903427

IUPAC1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide;oxalic acid
SMILESCOc1ccc(CN2CCC(C(=O)NCC(C)C)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C18H28N2O2.C2H2O4/c1-14(2)12-19-18(21)16-8-10-20(11-9-16)13-15-4-6-17(22-3)7-5-15;3-1(4)2(5)6/h4-7,14,16H,8-13H2,1-3H3,(H,19,21);(H,3,4)(H,5,6)
InChIKeyMSEFZXGQGMXODB-UHFFFAOYSA-N
MW394.47 g/mol
LogP1.84
Rot. Bonds6

About 1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide;oxalic acid

1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide;oxalic acid (PubChem CID 2903427) has the molecular formula C20H30N2O6 and a molecular weight of 394.47 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide;oxalic acid.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide;oxalic acid
PubChem CID2903427
Molecular FormulaC20H30N2O6
Molecular Weight394.47 g/mol
Exact Mass394.21
IUPAC Name1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide;oxalic acid
SMILESCOc1ccc(CN2CCC(C(=O)NCC(C)C)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C18H28N2O2.C2H2O4/c1-14(2)12-19-18(21)16-8-10-20(11-9-16)13-15-4-6-17(22-3)7-5-15;3-1(4)2(5)6/h4-7,14,16H,8-13H2,1-3H3,(H,19,21);(H,3,4)(H,5,6)
InChIKeyMSEFZXGQGMXODB-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
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-fluorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 762838
1-[(4-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 51361840
1-[(4-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
CID 51361839
1-[(4-ethoxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;oxalic acid
CID 163328544
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284727
1-[(2-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 25246790
1-benzyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;dihydrochloride
CID 120831634
1-[(3,4-dichlorophenyl)methyl]-N-[3-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 46773556
methyl 3-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]propanoate
CID 10882206
1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidine-4-carboxamide
CID 75504045
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 30361211
1-[(4-ethylphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 795830

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide;oxalic acid?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide;oxalic acid (CID 2903427) is 1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide;oxalic acid.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide;oxalic acid?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide;oxalic acid is COc1ccc(CN2CCC(C(=O)NCC(C)C)CC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide;oxalic acid?
The InChIKey is MSEFZXGQGMXODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.C2H2O4/c1-14(2)12-19-18(21)16-8-10-20(11-9-16)13-15-4-6-17(22-3)7-5-15;3-1(4)2(5)6/h4-7,14,16H,8-13H2,1-3H3,(H,19,21);(H,3,4)(H,5,6).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide;oxalic acid?
1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide;oxalic acid has a molecular weight of 394.47 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide;oxalic acid is sourced from PubChem (CID 2903427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).