1-(cyclopropanecarbonyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)piperidine-4-carboxamide

C19H21FN4O2 — CID 47059867

IUPAC1-(cyclopropanecarbonyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)c(F)c1)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H21FN4O2/c20-16-11-15(3-4-17(16)24-10-7-21-12-24)22-18(25)13-5-8-23(9-6-13)19(26)14-1-2-14/h3-4,7,10-14H,1-2,5-6,8-9H2,(H,22,25)
InChIKeyZETCUNCDVQHCRZ-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.60
Rot. Bonds4

About 1-(cyclopropanecarbonyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)piperidine-4-carboxamide (PubChem CID 47059867) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)piperidine-4-carboxamide
PubChem CID47059867
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name1-(cyclopropanecarbonyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)c(F)c1)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H21FN4O2/c20-16-11-15(3-4-17(16)24-10-7-21-12-24)22-18(25)13-5-8-23(9-6-13)19(26)14-1-2-14/h3-4,7,10-14H,1-2,5-6,8-9H2,(H,22,25)
InChIKeyZETCUNCDVQHCRZ-UHFFFAOYSA-N
XLogP2.60
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(3-fluoro-4-imidazol-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55955657
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
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1-(4-chlorophenyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55956043
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
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CID 47215374
1-butanoyl-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]piperidine-4-carboxamide
CID 86834222
1-(1,3-benzodioxol-5-yl)-3-(3-fluoro-4-imidazol-1-ylphenyl)urea;molecular hydrogen
CID 143582920
N-(4-chloro-2-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26410092
1-(cyclopropanecarbonyl)-N-(4-phenylphenyl)piperidine-4-carboxamide
CID 51155668
N-(3,4-difluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514742

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)piperidine-4-carboxamide (CID 47059867) is 1-(cyclopropanecarbonyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)piperidine-4-carboxamide is O=C(Nc1ccc(-n2ccnc2)c(F)c1)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)piperidine-4-carboxamide?
The InChIKey is ZETCUNCDVQHCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c20-16-11-15(3-4-17(16)24-10-7-21-12-24)22-18(25)13-5-8-23(9-6-13)19(26)14-1-2-14/h3-4,7,10-14H,1-2,5-6,8-9H2,(H,22,25).
What are the key properties of 1-(cyclopropanecarbonyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)piperidine-4-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 47059867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).