1-[4-(2,4-dimethoxyphenyl)-4-hydroxybutanoyl]piperidine-4-carboxamide

C18H26N2O5 — CID 84550395

IUPAC1-[4-(2,4-dimethoxyphenyl)-4-hydroxybutanoyl]piperidine-4-carboxamide
SMILESCOc1ccc(C(O)CCC(=O)N2CCC(C(N)=O)CC2)c(OC)c1
InChIInChI=1S/C18H26N2O5/c1-24-13-3-4-14(16(11-13)25-2)15(21)5-6-17(22)20-9-7-12(8-10-20)18(19)23/h3-4,11-12,15,21H,5-10H2,1-2H3,(H2,19,23)
InChIKeyVMOVDYWNPBMDDL-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.24
Rot. Bonds7

About 1-[4-(2,4-dimethoxyphenyl)-4-hydroxybutanoyl]piperidine-4-carboxamide

1-[4-(2,4-dimethoxyphenyl)-4-hydroxybutanoyl]piperidine-4-carboxamide (PubChem CID 84550395) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[4-(2,4-dimethoxyphenyl)-4-hydroxybutanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2,4-dimethoxyphenyl)-4-hydroxybutanoyl]piperidine-4-carboxamide
PubChem CID84550395
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name1-[4-(2,4-dimethoxyphenyl)-4-hydroxybutanoyl]piperidine-4-carboxamide
SMILESCOc1ccc(C(O)CCC(=O)N2CCC(C(N)=O)CC2)c(OC)c1
InChIInChI=1S/C18H26N2O5/c1-24-13-3-4-14(16(11-13)25-2)15(21)5-6-17(22)20-9-7-12(8-10-20)18(19)23/h3-4,11-12,15,21H,5-10H2,1-2H3,(H2,19,23)
InChIKeyVMOVDYWNPBMDDL-UHFFFAOYSA-N
XLogP1.24
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-chloro-4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 110769975
1-(aziridin-1-yl)-4-(3,4-dimethoxyphenyl)-4-hydroxybutan-1-one
CID 112510928
1-N-(2,5-dimethoxyphenyl)piperidine-1,4-dicarboxamide
CID 3830798
1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxamide
CID 51275806
1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8531166
4-amino-1-(2,4-dimethoxyphenyl)butan-1-ol
CID 112507580
1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxamide
CID 110675703
3-cyclopentyl-1-(2,4-dimethoxyphenyl)propan-1-ol
CID 61088448
4-(2,4-dimethoxyphenyl)-4-hydroxy-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide
CID 84555255
(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 131874680
1-butanoyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 113007690
1-(2,4-dimethoxyphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol
CID 82074086

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethoxyphenyl)-4-hydroxybutanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(2,4-dimethoxyphenyl)-4-hydroxybutanoyl]piperidine-4-carboxamide (CID 84550395) is 1-[4-(2,4-dimethoxyphenyl)-4-hydroxybutanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(2,4-dimethoxyphenyl)-4-hydroxybutanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(2,4-dimethoxyphenyl)-4-hydroxybutanoyl]piperidine-4-carboxamide is COc1ccc(C(O)CCC(=O)N2CCC(C(N)=O)CC2)c(OC)c1.
What is the InChIKey of 1-[4-(2,4-dimethoxyphenyl)-4-hydroxybutanoyl]piperidine-4-carboxamide?
The InChIKey is VMOVDYWNPBMDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-24-13-3-4-14(16(11-13)25-2)15(21)5-6-17(22)20-9-7-12(8-10-20)18(19)23/h3-4,11-12,15,21H,5-10H2,1-2H3,(H2,19,23).
What are the key properties of 1-[4-(2,4-dimethoxyphenyl)-4-hydroxybutanoyl]piperidine-4-carboxamide?
1-[4-(2,4-dimethoxyphenyl)-4-hydroxybutanoyl]piperidine-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethoxyphenyl)-4-hydroxybutanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 84550395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).