N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(3-fluoro-4-methylphenyl)butanamide

C25H33FN2O3 — CID 42858130

IUPACN-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(3-fluoro-4-methylphenyl)butanamide
SMILESCCCC(=O)N(c1ccc(C)c(F)c1)C1CCN(Cc2cccc(OC)c2OC)CC1
InChIInChI=1S/C25H33FN2O3/c1-5-7-24(29)28(21-11-10-18(2)22(26)16-21)20-12-14-27(15-13-20)17-19-8-6-9-23(30-3)25(19)31-4/h6,8-11,16,20H,5,7,12-15,17H2,1-4H3
InChIKeyUCLBVZBBQOKROA-UHFFFAOYSA-N
MW428.55 g/mol
LogP4.95
Rot. Bonds8

About N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(3-fluoro-4-methylphenyl)butanamide

N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(3-fluoro-4-methylphenyl)butanamide (PubChem CID 42858130) has the molecular formula C25H33FN2O3 and a molecular weight of 428.55 g/mol. Its IUPAC name is N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(3-fluoro-4-methylphenyl)butanamide.

Molecular Properties

Compound NameN-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(3-fluoro-4-methylphenyl)butanamide
PubChem CID42858130
Molecular FormulaC25H33FN2O3
Molecular Weight428.55 g/mol
Exact Mass428.25
IUPAC NameN-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(3-fluoro-4-methylphenyl)butanamide
SMILESCCCC(=O)N(c1ccc(C)c(F)c1)C1CCN(Cc2cccc(OC)c2OC)CC1
InChIInChI=1S/C25H33FN2O3/c1-5-7-24(29)28(21-11-10-18(2)22(26)16-21)20-12-14-27(15-13-20)17-19-8-6-9-23(30-3)25(19)31-4/h6,8-11,16,20H,5,7,12-15,17H2,1-4H3
InChIKeyUCLBVZBBQOKROA-UHFFFAOYSA-N
XLogP4.95
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-methylphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]butanamide
CID 46048329
N-(3-fluoro-4-methylphenyl)-N-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]butanamide
CID 46048335
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)butanamide
CID 46054472
N-(3,4-dimethoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]butanamide
CID 42853332
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(4-methylphenyl)benzamide
CID 42858229
N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide
CID 46054931
4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 46048408
1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 1076473
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-phenylbenzamide
CID 46054270
N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)butanamide
CID 46054921
N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(3-fluoro-4-methylphenyl)-2-methylpropanamide
CID 42853448
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 46055255

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(3-fluoro-4-methylphenyl)butanamide?
The IUPAC name of N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(3-fluoro-4-methylphenyl)butanamide (CID 42858130) is N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(3-fluoro-4-methylphenyl)butanamide.
What is the SMILES notation for N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(3-fluoro-4-methylphenyl)butanamide?
The canonical SMILES for N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(3-fluoro-4-methylphenyl)butanamide is CCCC(=O)N(c1ccc(C)c(F)c1)C1CCN(Cc2cccc(OC)c2OC)CC1.
What is the InChIKey of N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(3-fluoro-4-methylphenyl)butanamide?
The InChIKey is UCLBVZBBQOKROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN2O3/c1-5-7-24(29)28(21-11-10-18(2)22(26)16-21)20-12-14-27(15-13-20)17-19-8-6-9-23(30-3)25(19)31-4/h6,8-11,16,20H,5,7,12-15,17H2,1-4H3.
What are the key properties of N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(3-fluoro-4-methylphenyl)butanamide?
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(3-fluoro-4-methylphenyl)butanamide has a molecular weight of 428.55 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(3-fluoro-4-methylphenyl)butanamide is sourced from PubChem (CID 42858130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).