oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide

C22H28N2O5S — CID 86736486

IUPACoxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide
SMILESCC(C)N1CCC(N(C(=O)Cc2cccs2)c2ccccc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C20H26N2OS.C2H2O4/c1-16(2)21-12-10-18(11-13-21)22(17-7-4-3-5-8-17)20(23)15-19-9-6-14-24-19;3-1(4)2(5)6/h3-9,14,16,18H,10-13,15H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyYNBRZIVOYFNSQY-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.35
Rot. Bonds5

About oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide

oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide (PubChem CID 86736486) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Nameoxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide
PubChem CID86736486
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Nameoxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide
SMILESCC(C)N1CCC(N(C(=O)Cc2cccs2)c2ccccc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C20H26N2OS.C2H2O4/c1-16(2)21-12-10-18(11-13-21)22(17-7-4-3-5-8-17)20(23)15-19-9-6-14-24-19;3-1(4)2(5)6/h3-9,14,16,18H,10-13,15H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyYNBRZIVOYFNSQY-UHFFFAOYSA-N
XLogP3.35
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide
CID 23339066
N,2-bis(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride
CID 23339055
3-(N-(1-propan-2-ylpiperidin-4-yl)anilino)propanoic acid
CID 65059132
N-[3-methyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-yl]-N-phenylpropanamide
CID 53316367
N-[1-(1-methoxy-2-methyl-3-oxo-3-thiophen-2-ylpropyl)piperidin-4-yl]-N-phenylpropanamide
CID 57246488
N-cyclopropyl-N-(3-methylbutyl)-2-thiophen-2-ylacetamide
CID 86924480
N-(1-propan-2-ylpiperidin-4-yl)-3-thiophen-2-ylpropanamide
CID 110751959
N-phenyl-N-[1-[(2S)-1-phenylpropan-2-yl]piperidin-4-yl]propanamide
CID 36689715
N,2-diphenyl-N-(4-propan-2-ylcyclohexyl)acetamide
CID 21025612
N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-phenylpropanamide;N-methyl-3-thiophen-2-ylpropan-1-amine
CID 153332308
N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide
CID 51103465
N-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-2-thiophen-2-ylacetamide
CID 40771805

Frequently Asked Questions

What is the IUPAC name of oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide (CID 86736486) is oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide is CC(C)N1CCC(N(C(=O)Cc2cccs2)c2ccccc2)CC1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide?
The InChIKey is YNBRZIVOYFNSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS.C2H2O4/c1-16(2)21-12-10-18(11-13-21)22(17-7-4-3-5-8-17)20(23)15-19-9-6-14-24-19;3-1(4)2(5)6/h3-9,14,16,18H,10-13,15H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide?
oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide has a molecular weight of 432.54 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 86736486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).