N-benzyl-1-[(4-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid

C25H32N2O5 — CID 90483616

IUPACN-benzyl-1-[(4-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid
SMILESCCc1ccc(CN2CCCC(C(=O)N(C)Cc3ccccc3)C2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C23H30N2O.C2H2O4/c1-3-19-11-13-21(14-12-19)17-25-15-7-10-22(18-25)23(26)24(2)16-20-8-5-4-6-9-20;3-1(4)2(5)6/h4-6,8-9,11-14,22H,3,7,10,15-18H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyBYIVNIJCSHMOSO-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.28
Rot. Bonds6

About N-benzyl-1-[(4-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid

N-benzyl-1-[(4-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid (PubChem CID 90483616) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-benzyl-1-[(4-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid.

Molecular Properties

Compound NameN-benzyl-1-[(4-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid
PubChem CID90483616
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC NameN-benzyl-1-[(4-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid
SMILESCCc1ccc(CN2CCCC(C(=O)N(C)Cc3ccccc3)C2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C23H30N2O.C2H2O4/c1-3-19-11-13-21(14-12-19)17-25-15-7-10-22(18-25)23(26)24(2)16-20-8-5-4-6-9-20;3-1(4)2(5)6/h4-6,8-9,11-14,22H,3,7,10,15-18H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyBYIVNIJCSHMOSO-UHFFFAOYSA-N
XLogP3.28
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 131709262
N-benzyl-1-[[4-[[3-[benzyl(ethyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-ethylpiperidine-3-carboxamide;hydrobromide
CID 67856003
(3S)-1-[(4-chlorophenyl)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 100777593
(3S)-1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 38105345
1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
CID 110686080
N-hexyl-1-[[4-[[3-[hexyl(methyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-methylpiperidine-3-carboxamide
CID 10257104
(4-benzylpiperidin-1-yl)-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanone
CID 3482407
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 1076471
N-[(4-methoxyphenyl)methyl]-N-methyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43926170
(3R)-1-[[4-[[(3R)-3-(diethylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide;dihydrobromide
CID 3072460
1-(1-benzylpiperidin-4-yl)-N-ethyl-N-methylpiperidine-3-carboxamide
CID 45171529
1-benzylpiperidine-3-carbonyl chloride
CID 22006205

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(4-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid?
The IUPAC name of N-benzyl-1-[(4-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid (CID 90483616) is N-benzyl-1-[(4-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid.
What is the SMILES notation for N-benzyl-1-[(4-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid?
The canonical SMILES for N-benzyl-1-[(4-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid is CCc1ccc(CN2CCCC(C(=O)N(C)Cc3ccccc3)C2)cc1.O=C(O)C(=O)O.
What is the InChIKey of N-benzyl-1-[(4-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid?
The InChIKey is BYIVNIJCSHMOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O.C2H2O4/c1-3-19-11-13-21(14-12-19)17-25-15-7-10-22(18-25)23(26)24(2)16-20-8-5-4-6-9-20;3-1(4)2(5)6/h4-6,8-9,11-14,22H,3,7,10,15-18H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N-benzyl-1-[(4-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid?
N-benzyl-1-[(4-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid has a molecular weight of 440.54 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(4-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid is sourced from PubChem (CID 90483616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).