4-(2,4-dimethoxyphenyl)-4-hydroxy-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide

C24H32N2O4 — CID 84555255

IUPAC4-(2,4-dimethoxyphenyl)-4-hydroxy-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide
SMILESCOc1ccc(C(O)CCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c(OC)c1
InChIInChI=1S/C24H32N2O4/c1-17-12-14-26(15-13-17)19-6-4-18(5-7-19)25-24(28)11-10-22(27)21-9-8-20(29-2)16-23(21)30-3/h4-9,16-17,22,27H,10-15H2,1-3H3,(H,25,28)
InChIKeyCSCAEFUZCGURPK-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.39
Rot. Bonds8

About 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide

4-(2,4-dimethoxyphenyl)-4-hydroxy-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide (PubChem CID 84555255) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-4-hydroxy-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide
PubChem CID84555255
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name4-(2,4-dimethoxyphenyl)-4-hydroxy-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide
SMILESCOc1ccc(C(O)CCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c(OC)c1
InChIInChI=1S/C24H32N2O4/c1-17-12-14-26(15-13-17)19-6-4-18(5-7-19)25-24(28)11-10-22(27)21-9-8-20(29-2)16-23(21)30-3/h4-9,16-17,22,27H,10-15H2,1-3H3,(H,25,28)
InChIKeyCSCAEFUZCGURPK-UHFFFAOYSA-N
XLogP4.39
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109039631
N'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108987256
3-(2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 60600910
4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(2,4,6-trichlorophenyl)butanamide
CID 84555209
(2S)-N-(2,5-dimethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 25351726
3-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 109032069
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 78870898
2-[2-(4-methoxyphenoxy)ethylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109005273
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-(3-methylpyrrolidin-1-yl)-4-oxobutanamide
CID 86897059
4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(1H-pyrazol-5-yl)butanamide
CID 84555446
N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid
CID 171154568
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 108992539

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide (CID 84555255) is 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide is COc1ccc(C(O)CCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide?
The InChIKey is CSCAEFUZCGURPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-17-12-14-26(15-13-17)19-6-4-18(5-7-19)25-24(28)11-10-22(27)21-9-8-20(29-2)16-23(21)30-3/h4-9,16-17,22,27H,10-15H2,1-3H3,(H,25,28).
What are the key properties of 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide?
4-(2,4-dimethoxyphenyl)-4-hydroxy-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide has a molecular weight of 412.53 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide is sourced from PubChem (CID 84555255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).