2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanamide;oxalic acid

C23H34N2O5 — CID 24842549

IUPAC2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanamide;oxalic acid
SMILESNC(=O)C(CCN1CCCCC1)(c1ccccc1)C1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C21H32N2O.C2H2O4/c22-20(24)21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-23-15-8-3-9-16-23;3-1(4)2(5)6/h1,4-5,10-11,19H,2-3,6-9,12-17H2,(H2,22,24);(H,3,4)(H,5,6)
InChIKeyRDZYHMDHFJMCLZ-UHFFFAOYSA-N
MW418.53 g/mol
LogP3.02
Rot. Bonds6

About 2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanamide;oxalic acid

2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanamide;oxalic acid (PubChem CID 24842549) has the molecular formula C23H34N2O5 and a molecular weight of 418.53 g/mol. Its IUPAC name is 2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanamide;oxalic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanamide;oxalic acid
PubChem CID24842549
Molecular FormulaC23H34N2O5
Molecular Weight418.53 g/mol
Exact Mass418.25
IUPAC Name2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanamide;oxalic acid
SMILESNC(=O)C(CCN1CCCCC1)(c1ccccc1)C1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C21H32N2O.C2H2O4/c22-20(24)21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-23-15-8-3-9-16-23;3-1(4)2(5)6/h1,4-5,10-11,19H,2-3,6-9,12-17H2,(H2,22,24);(H,3,4)(H,5,6)
InChIKeyRDZYHMDHFJMCLZ-UHFFFAOYSA-N
XLogP3.02
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(azocan-1-yl)-2-phenylbutanamide
CID 116693501
(1S)-1-cyclopentyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride
CID 46878511
1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane
CID 21127105
2-ethyl-2-phenyl-4-piperidin-1-ylbutanamide
CID 18110
2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanenitrile
CID 24842565
1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-2-yn-1-ol
CID 2835413
2-cyclohexyl-2-hydroxy-2-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide
CID 15023468
1-cyclohexyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one
CID 10247985
4-morpholin-4-yl-2,2-diphenylbutanamide
CID 24840208
1-(2,3,4,5,6-pentadeuteriophenyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol
CID 163322578
2-amino-4-(3-ethylpyrrolidin-1-yl)-2-phenylbutanamide
CID 116693918
2-amino-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-phenylpropanamide
CID 63210905

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanamide;oxalic acid?
The IUPAC name of 2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanamide;oxalic acid (CID 24842549) is 2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanamide;oxalic acid.
What is the SMILES notation for 2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanamide;oxalic acid?
The canonical SMILES for 2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanamide;oxalic acid is NC(=O)C(CCN1CCCCC1)(c1ccccc1)C1CCCCC1.O=C(O)C(=O)O.
What is the InChIKey of 2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanamide;oxalic acid?
The InChIKey is RDZYHMDHFJMCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O.C2H2O4/c22-20(24)21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-23-15-8-3-9-16-23;3-1(4)2(5)6/h1,4-5,10-11,19H,2-3,6-9,12-17H2,(H2,22,24);(H,3,4)(H,5,6).
What are the key properties of 2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanamide;oxalic acid?
2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanamide;oxalic acid has a molecular weight of 418.53 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanamide;oxalic acid is sourced from PubChem (CID 24842549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).