N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)butanamide

C24H31FN2O3 — CID 46054472

IUPACN-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)butanamide
SMILESCCCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2cc(OC)ccc2OC)CC1
InChIInChI=1S/C24H31FN2O3/c1-4-5-24(28)27(20-8-6-19(25)7-9-20)21-12-14-26(15-13-21)17-18-16-22(29-2)10-11-23(18)30-3/h6-11,16,21H,4-5,12-15,17H2,1-3H3
InChIKeySMMGTFVDPRRHFJ-UHFFFAOYSA-N
MW414.52 g/mol
LogP4.64
Rot. Bonds8

About N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)butanamide

N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)butanamide (PubChem CID 46054472) has the molecular formula C24H31FN2O3 and a molecular weight of 414.52 g/mol. Its IUPAC name is N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)butanamide.

Molecular Properties

Compound NameN-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)butanamide
PubChem CID46054472
Molecular FormulaC24H31FN2O3
Molecular Weight414.52 g/mol
Exact Mass414.23
IUPAC NameN-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)butanamide
SMILESCCCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2cc(OC)ccc2OC)CC1
InChIInChI=1S/C24H31FN2O3/c1-4-5-24(28)27(20-8-6-19(25)7-9-20)21-12-14-26(15-13-21)17-18-16-22(29-2)10-11-23(18)30-3/h6-11,16,21H,4-5,12-15,17H2,1-3H3
InChIKeySMMGTFVDPRRHFJ-UHFFFAOYSA-N
XLogP4.64
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methylpropanamide
CID 46054319
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-3-methylbutanamide
CID 46054341
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-4-methylbenzamide
CID 46054532
N-(4-fluorophenyl)-4-methoxy-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 42858501
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(3-fluoro-4-methylphenyl)butanamide
CID 42858130
N-(3,4-dimethoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]butanamide
CID 42853332
N-(3-fluoro-4-methylphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]butanamide
CID 46048329
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-4-fluoro-N-phenylbenzamide
CID 46054236
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-2-methoxyacetamide
CID 46051987
N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide
CID 46159013
N-(4-fluorophenyl)-2-methoxy-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46048053
N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)butanamide
CID 46054921

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)butanamide?
The IUPAC name of N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)butanamide (CID 46054472) is N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)butanamide.
What is the SMILES notation for N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)butanamide?
The canonical SMILES for N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)butanamide is CCCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2cc(OC)ccc2OC)CC1.
What is the InChIKey of N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)butanamide?
The InChIKey is SMMGTFVDPRRHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O3/c1-4-5-24(28)27(20-8-6-19(25)7-9-20)21-12-14-26(15-13-21)17-18-16-22(29-2)10-11-23(18)30-3/h6-11,16,21H,4-5,12-15,17H2,1-3H3.
What are the key properties of N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)butanamide?
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)butanamide has a molecular weight of 414.52 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)butanamide is sourced from PubChem (CID 46054472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).