3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide

C24H30F2N2O — CID 42402093

IUPAC3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide
SMILESCN(C[C@H]1CCCN(CCc2ccc(F)cc2)C1)C(=O)CCc1ccccc1F
InChIInChI=1S/C24H30F2N2O/c1-27(24(29)13-10-21-6-2-3-7-23(21)26)17-20-5-4-15-28(18-20)16-14-19-8-11-22(25)12-9-19/h2-3,6-9,11-12,20H,4-5,10,13-18H2,1H3/t20-/m1/s1
InChIKeyPYKAFPKIRLJGSO-HXUWFJFHSA-N
MW400.51 g/mol
LogP4.31
Rot. Bonds8

About 3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide

3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide (PubChem CID 42402093) has the molecular formula C24H30F2N2O and a molecular weight of 400.51 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide
PubChem CID42402093
Molecular FormulaC24H30F2N2O
Molecular Weight400.51 g/mol
Exact Mass400.23
IUPAC Name3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide
SMILESCN(C[C@H]1CCCN(CCc2ccc(F)cc2)C1)C(=O)CCc1ccccc1F
InChIInChI=1S/C24H30F2N2O/c1-27(24(29)13-10-21-6-2-3-7-23(21)26)17-20-5-4-15-28(18-20)16-14-19-8-11-22(25)12-9-19/h2-3,6-9,11-12,20H,4-5,10,13-18H2,1H3/t20-/m1/s1
InChIKeyPYKAFPKIRLJGSO-HXUWFJFHSA-N
XLogP4.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide
CID 42404091
N'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N'-methylbutanediamide
CID 23723218
N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 42212910
N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-2-ylpropanamide
CID 25278684
N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-morpholin-4-ylpropanamide
CID 26332764
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-4-fluoro-N-methylbenzamide
CID 45179371
methyl 2-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl-methylcarbamoyl]benzoate
CID 25369950
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-4-(1,2,4-triazol-1-yl)butanamide
CID 45191583
2-(2,4-dioxopyrimidin-1-yl)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide
CID 72837777
N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-4-phenylbutanamide
CID 45178746
N-(cyclopropylmethyl)-3-(2-fluorophenyl)-N-methylpropanamide
CID 94158892
1-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methyl-3-propylurea
CID 25448302

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide (CID 42402093) is 3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide is CN(C[C@H]1CCCN(CCc2ccc(F)cc2)C1)C(=O)CCc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide?
The InChIKey is PYKAFPKIRLJGSO-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H30F2N2O/c1-27(24(29)13-10-21-6-2-3-7-23(21)26)17-20-5-4-15-28(18-20)16-14-19-8-11-22(25)12-9-19/h2-3,6-9,11-12,20H,4-5,10,13-18H2,1H3/t20-/m1/s1.
What are the key properties of 3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide?
3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide has a molecular weight of 400.51 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide is sourced from PubChem (CID 42402093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).