N-benzyl-1-[(4-chlorophenyl)methyl]-N-ethylpiperidine-4-carboxamide;oxalic acid

C24H29ClN2O5 — CID 2903464

IUPACN-benzyl-1-[(4-chlorophenyl)methyl]-N-ethylpiperidine-4-carboxamide;oxalic acid
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(Cl)cc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C22H27ClN2O.C2H2O4/c1-2-25(17-18-6-4-3-5-7-18)22(26)20-12-14-24(15-13-20)16-19-8-10-21(23)11-9-19;3-1(4)2(5)6/h3-11,20H,2,12-17H2,1H3;(H,3,4)(H,5,6)
InChIKeyFSDKAVBMMPENDT-UHFFFAOYSA-N
MW460.96 g/mol
LogP3.76
Rot. Bonds6

About N-benzyl-1-[(4-chlorophenyl)methyl]-N-ethylpiperidine-4-carboxamide;oxalic acid

N-benzyl-1-[(4-chlorophenyl)methyl]-N-ethylpiperidine-4-carboxamide;oxalic acid (PubChem CID 2903464) has the molecular formula C24H29ClN2O5 and a molecular weight of 460.96 g/mol. Its IUPAC name is N-benzyl-1-[(4-chlorophenyl)methyl]-N-ethylpiperidine-4-carboxamide;oxalic acid.

Molecular Properties

Compound NameN-benzyl-1-[(4-chlorophenyl)methyl]-N-ethylpiperidine-4-carboxamide;oxalic acid
PubChem CID2903464
Molecular FormulaC24H29ClN2O5
Molecular Weight460.96 g/mol
Exact Mass460.18
IUPAC NameN-benzyl-1-[(4-chlorophenyl)methyl]-N-ethylpiperidine-4-carboxamide;oxalic acid
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(Cl)cc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C22H27ClN2O.C2H2O4/c1-2-25(17-18-6-4-3-5-7-18)22(26)20-12-14-24(15-13-20)16-19-8-10-21(23)11-9-19;3-1(4)2(5)6/h3-11,20H,2,12-17H2,1H3;(H,3,4)(H,5,6)
InChIKeyFSDKAVBMMPENDT-UHFFFAOYSA-N
XLogP3.76
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.96
LogP ≤ 53.76
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-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 1076471
N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 44828320
N-benzyl-1-[[4-[[3-[benzyl(ethyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-ethylpiperidine-3-carboxamide;hydrobromide
CID 67856003
N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-ethylpiperidine-4-carboxamide
CID 3589734
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
N-benzyl-N-butyl-1-[(5-chloro-2-hydroxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 163328429
N-benzyl-N-ethyl-1-[(2-phenylpyrazol-3-yl)methyl]piperidine-4-carboxamide
CID 131889434
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
N-benzyl-N-ethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 649006
N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 18148402
methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate
CID 110754107
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine
CID 806863

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(4-chlorophenyl)methyl]-N-ethylpiperidine-4-carboxamide;oxalic acid?
The IUPAC name of N-benzyl-1-[(4-chlorophenyl)methyl]-N-ethylpiperidine-4-carboxamide;oxalic acid (CID 2903464) is N-benzyl-1-[(4-chlorophenyl)methyl]-N-ethylpiperidine-4-carboxamide;oxalic acid.
What is the SMILES notation for N-benzyl-1-[(4-chlorophenyl)methyl]-N-ethylpiperidine-4-carboxamide;oxalic acid?
The canonical SMILES for N-benzyl-1-[(4-chlorophenyl)methyl]-N-ethylpiperidine-4-carboxamide;oxalic acid is CCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(Cl)cc2)CC1.O=C(O)C(=O)O.
What is the InChIKey of N-benzyl-1-[(4-chlorophenyl)methyl]-N-ethylpiperidine-4-carboxamide;oxalic acid?
The InChIKey is FSDKAVBMMPENDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O.C2H2O4/c1-2-25(17-18-6-4-3-5-7-18)22(26)20-12-14-24(15-13-20)16-19-8-10-21(23)11-9-19;3-1(4)2(5)6/h3-11,20H,2,12-17H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-benzyl-1-[(4-chlorophenyl)methyl]-N-ethylpiperidine-4-carboxamide;oxalic acid?
N-benzyl-1-[(4-chlorophenyl)methyl]-N-ethylpiperidine-4-carboxamide;oxalic acid has a molecular weight of 460.96 g/mol, XLogP of 3.76, 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-chlorophenyl)methyl]-N-ethylpiperidine-4-carboxamide;oxalic acid is sourced from PubChem (CID 2903464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).