4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]butanamide

C25H32N2O3 — CID 26319728

IUPAC4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]butanamide
SMILESCOc1ccc(C(=O)CCC(=O)N(C)[C@@H]2CCCN(CCc3ccccc3)C2)cc1
InChIInChI=1S/C25H32N2O3/c1-26(25(29)15-14-24(28)21-10-12-23(30-2)13-11-21)22-9-6-17-27(19-22)18-16-20-7-4-3-5-8-20/h3-5,7-8,10-13,22H,6,9,14-19H2,1-2H3/t22-/m1/s1
InChIKeyFOMPIYRXAGQVCI-JOCHJYFZSA-N
MW408.54 g/mol
LogP3.82
Rot. Bonds9

About 4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]butanamide

4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]butanamide (PubChem CID 26319728) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]butanamide
PubChem CID26319728
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]butanamide
SMILESCOc1ccc(C(=O)CCC(=O)N(C)[C@@H]2CCCN(CCc3ccccc3)C2)cc1
InChIInChI=1S/C25H32N2O3/c1-26(25(29)15-14-24(28)21-10-12-23(30-2)13-11-21)22-9-6-17-27(19-22)18-16-20-7-4-3-5-8-20/h3-5,7-8,10-13,22H,6,9,14-19H2,1-2H3/t22-/m1/s1
InChIKeyFOMPIYRXAGQVCI-JOCHJYFZSA-N
XLogP3.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]butanamide with MolForge

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45199254
4-acetyl-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45196763
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 45246349
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 45230724
4,4,4-trifluoro-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 45222898
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopentene-1-carboxamide
CID 45191222
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 45239167
2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 45198921
2-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 45222340
N-methyl-3-(4-oxoquinazolin-3-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45241139
N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylamino)butanamide
CID 119857551
(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 93048464

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]butanamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]butanamide (CID 26319728) is 4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]butanamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]butanamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]butanamide is COc1ccc(C(=O)CCC(=O)N(C)[C@@H]2CCCN(CCc3ccccc3)C2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]butanamide?
The InChIKey is FOMPIYRXAGQVCI-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-26(25(29)15-14-24(28)21-10-12-23(30-2)13-11-21)22-9-6-17-27(19-22)18-16-20-7-4-3-5-8-20/h3-5,7-8,10-13,22H,6,9,14-19H2,1-2H3/t22-/m1/s1.
What are the key properties of 4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]butanamide?
4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]butanamide has a molecular weight of 408.54 g/mol, XLogP of 3.82, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]butanamide is sourced from PubChem (CID 26319728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).