4-(2,4-difluorophenoxy)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidine-1-carboxamide

C20H26F2N4O2 — CID 139000355

IUPAC4-(2,4-difluorophenoxy)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(Oc2ccc(F)cc2F)CC1)c1cnn(C(C)C)c1
InChIInChI=1S/C20H26F2N4O2/c1-13(2)26-12-15(11-23-26)14(3)24-20(27)25-8-6-17(7-9-25)28-19-5-4-16(21)10-18(19)22/h4-5,10-14,17H,6-9H2,1-3H3,(H,24,27)
InChIKeyITIUWXRACPTHKB-UHFFFAOYSA-N
MW392.45 g/mol
LogP4.06
Rot. Bonds5

About 4-(2,4-difluorophenoxy)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidine-1-carboxamide

4-(2,4-difluorophenoxy)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidine-1-carboxamide (PubChem CID 139000355) has the molecular formula C20H26F2N4O2 and a molecular weight of 392.45 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidine-1-carboxamide
PubChem CID139000355
Molecular FormulaC20H26F2N4O2
Molecular Weight392.45 g/mol
Exact Mass392.20
IUPAC Name4-(2,4-difluorophenoxy)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(Oc2ccc(F)cc2F)CC1)c1cnn(C(C)C)c1
InChIInChI=1S/C20H26F2N4O2/c1-13(2)26-12-15(11-23-26)14(3)24-20(27)25-8-6-17(7-9-25)28-19-5-4-16(21)10-18(19)22/h4-5,10-14,17H,6-9H2,1-3H3,(H,24,27)
InChIKeyITIUWXRACPTHKB-UHFFFAOYSA-N
XLogP4.06
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]amino]propanoic acid
CID 122019186
N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-4-methoxypiperidine-1-carboxamide
CID 122570470
4-chloro-N-[1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 112836632
2-(3,4-dichlorophenoxy)-1-[4-(2,4-difluorophenoxy)piperidin-1-yl]propan-1-one
CID 112836556
2-amino-1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-methoxypropan-1-one;hydrochloride
CID 120986431
N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-methylpiperidine-1-carboxamide
CID 60580560
1-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 94492379
2-(4-bromophenoxy)-1-[4-(2,4-difluorophenoxy)piperidin-1-yl]propan-1-one
CID 112836343
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 124698879
4-(2,4-difluorophenoxy)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-carboxamide
CID 136514721
[1-(4-bromophenyl)pyrazol-4-yl]-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112836546
(2-bromo-5-fluorophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112836700

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-(2,4-difluorophenoxy)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidine-1-carboxamide (CID 139000355) is 4-(2,4-difluorophenoxy)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2,4-difluorophenoxy)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidine-1-carboxamide is CC(NC(=O)N1CCC(Oc2ccc(F)cc2F)CC1)c1cnn(C(C)C)c1.
What is the InChIKey of 4-(2,4-difluorophenoxy)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is ITIUWXRACPTHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N4O2/c1-13(2)26-12-15(11-23-26)14(3)24-20(27)25-8-6-17(7-9-25)28-19-5-4-16(21)10-18(19)22/h4-5,10-14,17H,6-9H2,1-3H3,(H,24,27).
What are the key properties of 4-(2,4-difluorophenoxy)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidine-1-carboxamide?
4-(2,4-difluorophenoxy)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 392.45 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 139000355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).