N-[2-(2,4-difluorophenyl)-1-[1-(oxolane-3-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide

C22H30F2N2O3 — CID 126467054

IUPACN-[2-(2,4-difluorophenyl)-1-[1-(oxolane-3-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide
SMILESCCC(=O)N(C)C(Cc1ccc(F)cc1F)C1CCN(C(=O)C2CCOC2)CC1
InChIInChI=1S/C22H30F2N2O3/c1-3-21(27)25(2)20(12-16-4-5-18(23)13-19(16)24)15-6-9-26(10-7-15)22(28)17-8-11-29-14-17/h4-5,13,15,17,20H,3,6-12,14H2,1-2H3
InChIKeyUXDNXTWQLAWNPW-UHFFFAOYSA-N
MW408.49 g/mol
LogP3.02
Rot. Bonds6

About N-[2-(2,4-difluorophenyl)-1-[1-(oxolane-3-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide

N-[2-(2,4-difluorophenyl)-1-[1-(oxolane-3-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide (PubChem CID 126467054) has the molecular formula C22H30F2N2O3 and a molecular weight of 408.49 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-1-[1-(oxolane-3-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-1-[1-(oxolane-3-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide
PubChem CID126467054
Molecular FormulaC22H30F2N2O3
Molecular Weight408.49 g/mol
Exact Mass408.22
IUPAC NameN-[2-(2,4-difluorophenyl)-1-[1-(oxolane-3-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide
SMILESCCC(=O)N(C)C(Cc1ccc(F)cc1F)C1CCN(C(=O)C2CCOC2)CC1
InChIInChI=1S/C22H30F2N2O3/c1-3-21(27)25(2)20(12-16-4-5-18(23)13-19(16)24)15-6-9-26(10-7-15)22(28)17-8-11-29-14-17/h4-5,13,15,17,20H,3,6-12,14H2,1-2H3
InChIKeyUXDNXTWQLAWNPW-UHFFFAOYSA-N
XLogP3.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]ethyl]-N-methylpropanamide
CID 42321493
N-[(1S)-2-(2,4-difluorophenyl)-1-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]ethyl]-N-methylpropanamide
CID 42382240
N-[(1S)-2-(2,4-difluorophenyl)-1-(1-propanoylpiperidin-4-yl)ethyl]-N-methylcyclopropanecarboxamide
CID 42539918
N-[2-(2,4-difluorophenyl)-1-[1-[4-(5-methylfuran-2-yl)benzoyl]piperidin-4-yl]ethyl]-N-methylpropanamide
CID 118754965
N-[2-(2-fluorophenyl)-1-[1-(oxolane-3-carbonyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide
CID 45169122
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-(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
[4-(1-hydroxyethyl)piperidin-1-yl]-(oxolan-3-yl)methanone
CID 112537686
N-[[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide
CID 172900865
[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 95342573

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-1-[1-(oxolane-3-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)-1-[1-(oxolane-3-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide (CID 126467054) is N-[2-(2,4-difluorophenyl)-1-[1-(oxolane-3-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-1-[1-(oxolane-3-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-1-[1-(oxolane-3-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide is CCC(=O)N(C)C(Cc1ccc(F)cc1F)C1CCN(C(=O)C2CCOC2)CC1.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-1-[1-(oxolane-3-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide?
The InChIKey is UXDNXTWQLAWNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F2N2O3/c1-3-21(27)25(2)20(12-16-4-5-18(23)13-19(16)24)15-6-9-26(10-7-15)22(28)17-8-11-29-14-17/h4-5,13,15,17,20H,3,6-12,14H2,1-2H3.
What are the key properties of N-[2-(2,4-difluorophenyl)-1-[1-(oxolane-3-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide?
N-[2-(2,4-difluorophenyl)-1-[1-(oxolane-3-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide has a molecular weight of 408.49 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-1-[1-(oxolane-3-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide is sourced from PubChem (CID 126467054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).