4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide

C24H30N2O3 — CID 110406744

IUPAC4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide
SMILESCOc1ccc(C(=O)CCC(=O)NCC(c2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C24H30N2O3/c1-29-21-12-10-20(11-13-21)23(27)14-15-24(28)25-18-22(19-8-4-2-5-9-19)26-16-6-3-7-17-26/h2,4-5,8-13,22H,3,6-7,14-18H2,1H3,(H,25,28)
InChIKeyWTGHYEGXNPXLIO-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.00
Rot. Bonds9

About 4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide

4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide (PubChem CID 110406744) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide
PubChem CID110406744
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide
SMILESCOc1ccc(C(=O)CCC(=O)NCC(c2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C24H30N2O3/c1-29-21-12-10-20(11-13-21)23(27)14-15-24(28)25-18-22(19-8-4-2-5-9-19)26-16-6-3-7-17-26/h2,4-5,8-13,22H,3,6-7,14-18H2,1H3,(H,25,28)
InChIKeyWTGHYEGXNPXLIO-UHFFFAOYSA-N
XLogP4.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 51161543
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110623858
4-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide
CID 55328450
N-[3-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide
CID 40898083
1-(4-methoxyphenyl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone
CID 110825707
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984976
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 27771479
2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 60615784
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 55329042
4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829586
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-methylphenoxy)propanamide
CID 51731084

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide?
The IUPAC name of 4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide (CID 110406744) is 4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide?
The canonical SMILES for 4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide is COc1ccc(C(=O)CCC(=O)NCC(c2ccccc2)N2CCCCC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide?
The InChIKey is WTGHYEGXNPXLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-29-21-12-10-20(11-13-21)23(27)14-15-24(28)25-18-22(19-8-4-2-5-9-19)26-16-6-3-7-17-26/h2,4-5,8-13,22H,3,6-7,14-18H2,1H3,(H,25,28).
What are the key properties of 4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide?
4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide has a molecular weight of 394.52 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide is sourced from PubChem (CID 110406744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).