N-[(1S)-2-(2,4-difluorophenyl)-1-(1-propanoylpiperidin-4-yl)ethyl]-N-methylcyclopropanecarboxamide

C21H28F2N2O2 — CID 42539918

IUPACN-[(1S)-2-(2,4-difluorophenyl)-1-(1-propanoylpiperidin-4-yl)ethyl]-N-methylcyclopropanecarboxamide
SMILESCCC(=O)N1CCC([C@H](Cc2ccc(F)cc2F)N(C)C(=O)C2CC2)CC1
InChIInChI=1S/C21H28F2N2O2/c1-3-20(26)25-10-8-14(9-11-25)19(24(2)21(27)15-4-5-15)12-16-6-7-17(22)13-18(16)23/h6-7,13-15,19H,3-5,8-12H2,1-2H3/t19-/m0/s1
InChIKeyLYKYKMMSKKKTQY-IBGZPJMESA-N
MW378.46 g/mol
LogP3.39
Rot. Bonds6

About N-[(1S)-2-(2,4-difluorophenyl)-1-(1-propanoylpiperidin-4-yl)ethyl]-N-methylcyclopropanecarboxamide

N-[(1S)-2-(2,4-difluorophenyl)-1-(1-propanoylpiperidin-4-yl)ethyl]-N-methylcyclopropanecarboxamide (PubChem CID 42539918) has the molecular formula C21H28F2N2O2 and a molecular weight of 378.46 g/mol. Its IUPAC name is N-[(1S)-2-(2,4-difluorophenyl)-1-(1-propanoylpiperidin-4-yl)ethyl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(2,4-difluorophenyl)-1-(1-propanoylpiperidin-4-yl)ethyl]-N-methylcyclopropanecarboxamide
PubChem CID42539918
Molecular FormulaC21H28F2N2O2
Molecular Weight378.46 g/mol
Exact Mass378.21
IUPAC NameN-[(1S)-2-(2,4-difluorophenyl)-1-(1-propanoylpiperidin-4-yl)ethyl]-N-methylcyclopropanecarboxamide
SMILESCCC(=O)N1CCC([C@H](Cc2ccc(F)cc2F)N(C)C(=O)C2CC2)CC1
InChIInChI=1S/C21H28F2N2O2/c1-3-20(26)25-10-8-14(9-11-25)19(24(2)21(27)15-4-5-15)12-16-6-7-17(22)13-18(16)23/h6-7,13-15,19H,3-5,8-12H2,1-2H3/t19-/m0/s1
InChIKeyLYKYKMMSKKKTQY-IBGZPJMESA-N
XLogP3.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-2-(2,4-difluorophenyl)-1-[1-[(1S)-3-oxo-1,2-dihydroindene-1-carbonyl]piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide
CID 26360938
N-[2-(2,4-difluorophenyl)-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide
CID 45220656
N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]ethyl]-N-methylpropanamide
CID 42321493
N-[2-(2,4-difluorophenyl)-1-[1-(oxolane-3-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide
CID 126467054
N-[(1S)-2-(2,4-difluorophenyl)-1-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]ethyl]-N-methylpropanamide
CID 42382240
N-[2-(2,4-difluorophenyl)-1-[1-[4-(5-methylfuran-2-yl)benzoyl]piperidin-4-yl]ethyl]-N-methylpropanamide
CID 118754965
N-[(1R)-2-(2,4-difluorophenyl)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 42462495
N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 42345770
1-(4-bromopiperidin-1-yl)-2-(2,4-difluorophenyl)ethanone
CID 80662068
N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 42346920
1-[4-[(5-chloropyrimidin-2-yl)-methylamino]piperidin-1-yl]-2-(2,4-difluorophenyl)ethanone
CID 155800879
N-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005666

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(2,4-difluorophenyl)-1-(1-propanoylpiperidin-4-yl)ethyl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[(1S)-2-(2,4-difluorophenyl)-1-(1-propanoylpiperidin-4-yl)ethyl]-N-methylcyclopropanecarboxamide (CID 42539918) is N-[(1S)-2-(2,4-difluorophenyl)-1-(1-propanoylpiperidin-4-yl)ethyl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[(1S)-2-(2,4-difluorophenyl)-1-(1-propanoylpiperidin-4-yl)ethyl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[(1S)-2-(2,4-difluorophenyl)-1-(1-propanoylpiperidin-4-yl)ethyl]-N-methylcyclopropanecarboxamide is CCC(=O)N1CCC([C@H](Cc2ccc(F)cc2F)N(C)C(=O)C2CC2)CC1.
What is the InChIKey of N-[(1S)-2-(2,4-difluorophenyl)-1-(1-propanoylpiperidin-4-yl)ethyl]-N-methylcyclopropanecarboxamide?
The InChIKey is LYKYKMMSKKKTQY-IBGZPJMESA-N. The full InChI is InChI=1S/C21H28F2N2O2/c1-3-20(26)25-10-8-14(9-11-25)19(24(2)21(27)15-4-5-15)12-16-6-7-17(22)13-18(16)23/h6-7,13-15,19H,3-5,8-12H2,1-2H3/t19-/m0/s1.
What are the key properties of N-[(1S)-2-(2,4-difluorophenyl)-1-(1-propanoylpiperidin-4-yl)ethyl]-N-methylcyclopropanecarboxamide?
N-[(1S)-2-(2,4-difluorophenyl)-1-(1-propanoylpiperidin-4-yl)ethyl]-N-methylcyclopropanecarboxamide has a molecular weight of 378.46 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(2,4-difluorophenyl)-1-(1-propanoylpiperidin-4-yl)ethyl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 42539918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).