oxalic acid;bis(N-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide)

C48H62N4O6 — CID 3048548

IUPACoxalic acid;bis(N-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide)
SMILESCCC(=O)N(CC(C)N1CCC(c2ccccc2)CC1)c1ccccc1.CCC(=O)N(CC(C)N1CCC(c2ccccc2)CC1)c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/2C23H30N2O.C2H2O4/c2*1-3-23(26)25(22-12-8-5-9-13-22)18-19(2)24-16-14-21(15-17-24)20-10-6-4-7-11-20;3-1(4)2(5)6/h2*4-13,19,21H,3,14-18H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyLWSXRFQDNPVXIU-UHFFFAOYSA-N
MW791.05 g/mol
LogP8.55
Rot. Bonds12

About oxalic acid;bis(N-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide)

oxalic acid;bis(N-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide) (PubChem CID 3048548) has the molecular formula C48H62N4O6 and a molecular weight of 791.05 g/mol. Its IUPAC name is oxalic acid;bis(N-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide).

Molecular Properties

Compound Nameoxalic acid;bis(N-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide)
PubChem CID3048548
Molecular FormulaC48H62N4O6
Molecular Weight791.05 g/mol
Exact Mass790.47
IUPAC Nameoxalic acid;bis(N-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide)
SMILESCCC(=O)N(CC(C)N1CCC(c2ccccc2)CC1)c1ccccc1.CCC(=O)N(CC(C)N1CCC(c2ccccc2)CC1)c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/2C23H30N2O.C2H2O4/c2*1-3-23(26)25(22-12-8-5-9-13-22)18-19(2)24-16-14-21(15-17-24)20-10-6-4-7-11-20;3-1(4)2(5)6/h2*4-13,19,21H,3,14-18H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyLWSXRFQDNPVXIU-UHFFFAOYSA-N
XLogP8.55
TPSA121.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.05
LogP ≤ 58.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(4-bromophenyl)propanamide
CID 166628736
2,4-bis(4-phenylpiperidin-1-yl)pentan-3-one
CID 174394805
N-phenyl-N-[1-[(2S)-1-phenylpropan-2-yl]piperidin-4-yl]propanamide
CID 36689715
ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate
CID 62070395
N-(2-piperidin-1-ylpropyl)-N-pyridin-2-ylpropanamide
CID 3041469
N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-phenylethyl)propanamide
CID 166636167
(2S)-N-ethyl-2-(4-hydroxypiperidin-1-yl)-N-phenylpropanamide
CID 94333132
1-(4-phenylcyclohexyl)propan-1-one
CID 13042788
N-phenyl-N-[[(3R)-1-(2-phenylpropyl)piperidin-3-yl]methyl]propanamide
CID 59101556
2-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 55039477
(2R)-N-phenyl-2-(4-phenylpiperidin-1-yl)propanamide
CID 125483089
N-(2-cyanoethyl)-N-phenyl-2-(4-phenylpiperidin-1-yl)acetamide
CID 134001832

Frequently Asked Questions

What is the IUPAC name of oxalic acid;bis(N-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide)?
The IUPAC name of oxalic acid;bis(N-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide) (CID 3048548) is oxalic acid;bis(N-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide).
What is the SMILES notation for oxalic acid;bis(N-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide)?
The canonical SMILES for oxalic acid;bis(N-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide) is CCC(=O)N(CC(C)N1CCC(c2ccccc2)CC1)c1ccccc1.CCC(=O)N(CC(C)N1CCC(c2ccccc2)CC1)c1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;bis(N-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide)?
The InChIKey is LWSXRFQDNPVXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H30N2O.C2H2O4/c2*1-3-23(26)25(22-12-8-5-9-13-22)18-19(2)24-16-14-21(15-17-24)20-10-6-4-7-11-20;3-1(4)2(5)6/h2*4-13,19,21H,3,14-18H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;bis(N-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide)?
oxalic acid;bis(N-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide) has a molecular weight of 791.05 g/mol, XLogP of 8.55, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;bis(N-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide) is sourced from PubChem (CID 3048548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).