oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)

C34H50N4O6 — CID 146470915

IUPACoxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)
SMILESCCC(=O)NC1CCN(CCc2ccccc2)CC1.CCC(=O)NC1CCN(CCc2ccccc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/2C16H24N2O.C2H2O4/c2*1-2-16(19)17-15-9-12-18(13-10-15)11-8-14-6-4-3-5-7-14;3-1(4)2(5)6/h2*3-7,15H,2,8-13H2,1H3,(H,17,19);(H,3,4)(H,5,6)
InChIKeyDWSIFAPFMGHLJE-UHFFFAOYSA-N
MW610.80 g/mol
LogP3.60
Rot. Bonds10

About oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)

oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide) (PubChem CID 146470915) has the molecular formula C34H50N4O6 and a molecular weight of 610.80 g/mol. Its IUPAC name is oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide).

Molecular Properties

Compound Nameoxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)
PubChem CID146470915
Molecular FormulaC34H50N4O6
Molecular Weight610.80 g/mol
Exact Mass610.37
IUPAC Nameoxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)
SMILESCCC(=O)NC1CCN(CCc2ccccc2)CC1.CCC(=O)NC1CCN(CCc2ccccc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/2C16H24N2O.C2H2O4/c2*1-2-16(19)17-15-9-12-18(13-10-15)11-8-14-6-4-3-5-7-14;3-1(4)2(5)6/h2*3-7,15H,2,8-13H2,1H3,(H,17,19);(H,3,4)(H,5,6)
InChIKeyDWSIFAPFMGHLJE-UHFFFAOYSA-N
XLogP3.60
TPSA139.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.80
LogP ≤ 53.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

oxalic acid;N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 118877840
2-(cyclopropylmethylamino)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;dihydrochloride
CID 119844580
(2S)-2-amino-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119844586
N-[(3S,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 167098946
N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide
CID 118877843
N-(1-ethylpiperidin-4-yl)-4-phenylbutanamide
CID 17250229
N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide
CID 110820721
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]-N-propylacetamide
CID 119164761
N-butan-2-yl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanamide
CID 119165178
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid
CID 61499758
N-cyclopropyl-2-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]acetamide
CID 56893950
1-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]imidazole-4-carboxamide
CID 118776458

Frequently Asked Questions

What is the IUPAC name of oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)?
The IUPAC name of oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide) (CID 146470915) is oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide).
What is the SMILES notation for oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)?
The canonical SMILES for oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide) is CCC(=O)NC1CCN(CCc2ccccc2)CC1.CCC(=O)NC1CCN(CCc2ccccc2)CC1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)?
The InChIKey is DWSIFAPFMGHLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H24N2O.C2H2O4/c2*1-2-16(19)17-15-9-12-18(13-10-15)11-8-14-6-4-3-5-7-14;3-1(4)2(5)6/h2*3-7,15H,2,8-13H2,1H3,(H,17,19);(H,3,4)(H,5,6).
What are the key properties of oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)?
oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide) has a molecular weight of 610.80 g/mol, XLogP of 3.60, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide) is sourced from PubChem (CID 146470915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).