[3-(5-cyclobutyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone

C24H29F3N4O3 — CID 141241346

IUPAC[3-(5-cyclobutyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CC(c2ccc(OC(F)(F)F)cc2)CC(c2cc(C3CCC3)[nH]n2)C1
InChIInChI=1S/C24H29F3N4O3/c25-24(26,27)34-20-6-4-16(5-7-20)18-12-19(22-13-21(28-29-22)17-2-1-3-17)15-31(14-18)23(32)30-8-10-33-11-9-30/h4-7,13,17-19H,1-3,8-12,14-15H2,(H,28,29)
InChIKeySASGNMRFPRGWDU-UHFFFAOYSA-N
MW478.52 g/mol
LogP4.60
Rot. Bonds4

About [3-(5-cyclobutyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone

[3-(5-cyclobutyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 141241346) has the molecular formula C24H29F3N4O3 and a molecular weight of 478.52 g/mol. Its IUPAC name is [3-(5-cyclobutyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(5-cyclobutyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID141241346
Molecular FormulaC24H29F3N4O3
Molecular Weight478.52 g/mol
Exact Mass478.22
IUPAC Name[3-(5-cyclobutyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CC(c2ccc(OC(F)(F)F)cc2)CC(c2cc(C3CCC3)[nH]n2)C1
InChIInChI=1S/C24H29F3N4O3/c25-24(26,27)34-20-6-4-16(5-7-20)18-12-19(22-13-21(28-29-22)17-2-1-3-17)15-31(14-18)23(32)30-8-10-33-11-9-30/h4-7,13,17-19H,1-3,8-12,14-15H2,(H,28,29)
InChIKeySASGNMRFPRGWDU-UHFFFAOYSA-N
XLogP4.60
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,1-trifluoro-3-{4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidino}-2-propanol
CID 3578707
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 71839642
N-(3,5-difluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
CID 71839621
N-(4-fluorobenzyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
CID 71839632
N-(2,4-difluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
CID 71839633
2-(2,5-difluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 71926742
2-(2,4-difluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 71926813
2-[(3-methoxyphenyl)methoxy]-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 72121299
4-[3-(3-Methoxyphenyl)-1H-pyrazol-5-YL]-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 71839634
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 71839635
4-[3-(3-Methoxyphenyl)-1H-pyrazol-5-YL]-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 71839639
N-cyclopentyl-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]tetrahydro-1(2H)-pyridinecarboxamide
CID 71839640

Frequently Asked Questions

What is the IUPAC name of [3-(5-cyclobutyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(5-cyclobutyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone (CID 141241346) is [3-(5-cyclobutyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(5-cyclobutyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(5-cyclobutyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CC(c2ccc(OC(F)(F)F)cc2)CC(c2cc(C3CCC3)[nH]n2)C1.
What is the InChIKey of [3-(5-cyclobutyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is SASGNMRFPRGWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O3/c25-24(26,27)34-20-6-4-16(5-7-20)18-12-19(22-13-21(28-29-22)17-2-1-3-17)15-31(14-18)23(32)30-8-10-33-11-9-30/h4-7,13,17-19H,1-3,8-12,14-15H2,(H,28,29).
What are the key properties of [3-(5-cyclobutyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone?
[3-(5-cyclobutyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 478.52 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-cyclobutyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 141241346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).