N-(2,6-difluorophenyl)-2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide

C24H30F2N2O3 — CID 18137185

IUPACN-(2,6-difluorophenyl)-2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide
SMILESCOc1cc(CCC2CCN(C(C)C(=O)Nc3c(F)cccc3F)CC2)cc(OC)c1
InChIInChI=1S/C24H30F2N2O3/c1-16(24(29)27-23-21(25)5-4-6-22(23)26)28-11-9-17(10-12-28)7-8-18-13-19(30-2)15-20(14-18)31-3/h4-6,13-17H,7-12H2,1-3H3,(H,27,29)
InChIKeyNDCHMPKBBLCDPK-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.65
Rot. Bonds8

About N-(2,6-difluorophenyl)-2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide

N-(2,6-difluorophenyl)-2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide (PubChem CID 18137185) has the molecular formula C24H30F2N2O3 and a molecular weight of 432.51 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide
PubChem CID18137185
Molecular FormulaC24H30F2N2O3
Molecular Weight432.51 g/mol
Exact Mass432.22
IUPAC NameN-(2,6-difluorophenyl)-2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide
SMILESCOc1cc(CCC2CCN(C(C)C(=O)Nc3c(F)cccc3F)CC2)cc(OC)c1
InChIInChI=1S/C24H30F2N2O3/c1-16(24(29)27-23-21(25)5-4-6-22(23)26)28-11-9-17(10-12-28)7-8-18-13-19(30-2)15-20(14-18)31-3/h4-6,13-17H,7-12H2,1-3H3,(H,27,29)
InChIKeyNDCHMPKBBLCDPK-UHFFFAOYSA-N
XLogP4.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
CID 18281050
2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 42927404
1-[1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 18094756
(2S)-2-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)propanamide
CID 9430606
(2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 9268335
N-cyclopropyl-2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 78831418
(2S)-N-(2,6-difluorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430854
N-[2-(2-fluorophenyl)ethyl]-1-[1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 55842591
N-(2,6-difluorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918498
methyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 8741714
(2R)-N-(3-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461838
(2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 9430598

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide (CID 18137185) is N-(2,6-difluorophenyl)-2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide is COc1cc(CCC2CCN(C(C)C(=O)Nc3c(F)cccc3F)CC2)cc(OC)c1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide?
The InChIKey is NDCHMPKBBLCDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N2O3/c1-16(24(29)27-23-21(25)5-4-6-22(23)26)28-11-9-17(10-12-28)7-8-18-13-19(30-2)15-20(14-18)31-3/h4-6,13-17H,7-12H2,1-3H3,(H,27,29).
What are the key properties of N-(2,6-difluorophenyl)-2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide?
N-(2,6-difluorophenyl)-2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide has a molecular weight of 432.51 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 18137185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).