N-benzyl-1-(cyclohex-3-en-1-ylmethyl)-N-ethylpiperidine-4-carboxamide;oxalic acid

C24H34N2O5 — CID 2903453

IUPACN-benzyl-1-(cyclohex-3-en-1-ylmethyl)-N-ethylpiperidine-4-carboxamide;oxalic acid
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(CC2CC=CCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C22H32N2O.C2H2O4/c1-2-24(18-20-11-7-4-8-12-20)22(25)21-13-15-23(16-14-21)17-19-9-5-3-6-10-19;3-1(4)2(5)6/h3-5,7-8,11-12,19,21H,2,6,9-10,13-18H2,1H3;(H,3,4)(H,5,6)
InChIKeyFOVWSAMACQDBPW-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.26
Rot. Bonds6

About N-benzyl-1-(cyclohex-3-en-1-ylmethyl)-N-ethylpiperidine-4-carboxamide;oxalic acid

N-benzyl-1-(cyclohex-3-en-1-ylmethyl)-N-ethylpiperidine-4-carboxamide;oxalic acid (PubChem CID 2903453) has the molecular formula C24H34N2O5 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-benzyl-1-(cyclohex-3-en-1-ylmethyl)-N-ethylpiperidine-4-carboxamide;oxalic acid.

Molecular Properties

Compound NameN-benzyl-1-(cyclohex-3-en-1-ylmethyl)-N-ethylpiperidine-4-carboxamide;oxalic acid
PubChem CID2903453
Molecular FormulaC24H34N2O5
Molecular Weight430.55 g/mol
Exact Mass430.25
IUPAC NameN-benzyl-1-(cyclohex-3-en-1-ylmethyl)-N-ethylpiperidine-4-carboxamide;oxalic acid
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(CC2CC=CCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C22H32N2O.C2H2O4/c1-2-24(18-20-11-7-4-8-12-20)22(25)21-13-15-23(16-14-21)17-19-9-5-3-6-10-19;3-1(4)2(5)6/h3-5,7-8,11-12,19,21H,2,6,9-10,13-18H2,1H3;(H,3,4)(H,5,6)
InChIKeyFOVWSAMACQDBPW-UHFFFAOYSA-N
XLogP3.26
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(cyclohex-3-en-1-ylmethyl)-N-ethylpiperidine-4-carboxamide;oxalic acid?
The IUPAC name of N-benzyl-1-(cyclohex-3-en-1-ylmethyl)-N-ethylpiperidine-4-carboxamide;oxalic acid (CID 2903453) is N-benzyl-1-(cyclohex-3-en-1-ylmethyl)-N-ethylpiperidine-4-carboxamide;oxalic acid.
What is the SMILES notation for N-benzyl-1-(cyclohex-3-en-1-ylmethyl)-N-ethylpiperidine-4-carboxamide;oxalic acid?
The canonical SMILES for N-benzyl-1-(cyclohex-3-en-1-ylmethyl)-N-ethylpiperidine-4-carboxamide;oxalic acid is CCN(Cc1ccccc1)C(=O)C1CCN(CC2CC=CCC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of N-benzyl-1-(cyclohex-3-en-1-ylmethyl)-N-ethylpiperidine-4-carboxamide;oxalic acid?
The InChIKey is FOVWSAMACQDBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O.C2H2O4/c1-2-24(18-20-11-7-4-8-12-20)22(25)21-13-15-23(16-14-21)17-19-9-5-3-6-10-19;3-1(4)2(5)6/h3-5,7-8,11-12,19,21H,2,6,9-10,13-18H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-benzyl-1-(cyclohex-3-en-1-ylmethyl)-N-ethylpiperidine-4-carboxamide;oxalic acid?
N-benzyl-1-(cyclohex-3-en-1-ylmethyl)-N-ethylpiperidine-4-carboxamide;oxalic acid has a molecular weight of 430.55 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(cyclohex-3-en-1-ylmethyl)-N-ethylpiperidine-4-carboxamide;oxalic acid is sourced from PubChem (CID 2903453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).