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

C24H31FN2O3 — CID 46054319

IUPACN-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methylpropanamide
SMILESCOc1ccc(OC)c(CN2CCC(N(C(=O)C(C)C)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C24H31FN2O3/c1-17(2)24(28)27(20-7-5-19(25)6-8-20)21-11-13-26(14-12-21)16-18-15-22(29-3)9-10-23(18)30-4/h5-10,15,17,21H,11-14,16H2,1-4H3
InChIKeyRCUAHSZFIHIBIE-UHFFFAOYSA-N
MW414.52 g/mol
LogP4.50
Rot. Bonds7

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

N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methylpropanamide (PubChem CID 46054319) 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)-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methylpropanamide
PubChem CID46054319
Molecular FormulaC24H31FN2O3
Molecular Weight414.52 g/mol
Exact Mass414.23
IUPAC NameN-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methylpropanamide
SMILESCOc1ccc(OC)c(CN2CCC(N(C(=O)C(C)C)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C24H31FN2O3/c1-17(2)24(28)27(20-7-5-19(25)6-8-20)21-11-13-26(14-12-21)16-18-15-22(29-3)9-10-23(18)30-4/h5-10,15,17,21H,11-14,16H2,1-4H3
InChIKeyRCUAHSZFIHIBIE-UHFFFAOYSA-N
XLogP4.50
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 54.50
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)butanamide
CID 46054472
N-(4-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide
CID 42853264
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-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-4-fluoro-N-phenylbenzamide
CID 46054236
N-(4-fluorophenyl)-4-methoxy-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 42858501
N-(4-fluorophenyl)-2-methoxy-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46048053
N-(3,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-methylpropanamide
CID 42858172
N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(3-fluoro-4-methylphenyl)-2-methylpropanamide
CID 42853448
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylthiophene-2-carboxamide
CID 42858031
N-(4-ethylphenyl)-N-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide
CID 42858416
1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 9452417

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methylpropanamide?
The IUPAC name of N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methylpropanamide (CID 46054319) is N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methylpropanamide is COc1ccc(OC)c(CN2CCC(N(C(=O)C(C)C)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methylpropanamide?
The InChIKey is RCUAHSZFIHIBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O3/c1-17(2)24(28)27(20-7-5-19(25)6-8-20)21-11-13-26(14-12-21)16-18-15-22(29-3)9-10-23(18)30-4/h5-10,15,17,21H,11-14,16H2,1-4H3.
What are the key properties of N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methylpropanamide?
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methylpropanamide has a molecular weight of 414.52 g/mol, XLogP of 4.50, 7 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)-2-methylpropanamide is sourced from PubChem (CID 46054319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).