4-phenyl-N-[2-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide

C22H29F3N4O — CID 26326222

IUPAC4-phenyl-N-[2-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide
SMILESC[C@H](CC(F)(F)F)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C22H29F3N4O/c1-17(16-22(23,24)25)28-14-11-19(12-15-28)29-20(10-13-26-29)27-21(30)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10,13,17,19H,5,8-9,11-12,14-16H2,1H3,(H,27,30)/t17-/m1/s1
InChIKeyIGKOOWGHTRLYHH-QGZVFWFLSA-N
MW422.50 g/mol
LogP4.82
Rot. Bonds8

About 4-phenyl-N-[2-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide

4-phenyl-N-[2-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide (PubChem CID 26326222) has the molecular formula C22H29F3N4O and a molecular weight of 422.50 g/mol. Its IUPAC name is 4-phenyl-N-[2-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name4-phenyl-N-[2-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide
PubChem CID26326222
Molecular FormulaC22H29F3N4O
Molecular Weight422.50 g/mol
Exact Mass422.23
IUPAC Name4-phenyl-N-[2-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide
SMILESC[C@H](CC(F)(F)F)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C22H29F3N4O/c1-17(16-22(23,24)25)28-14-11-19(12-15-28)29-20(10-13-26-29)27-21(30)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10,13,17,19H,5,8-9,11-12,14-16H2,1H3,(H,27,30)/t17-/m1/s1
InChIKeyIGKOOWGHTRLYHH-QGZVFWFLSA-N
XLogP4.82
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-phenyl-N-[2-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[2-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide?
The IUPAC name of 4-phenyl-N-[2-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide (CID 26326222) is 4-phenyl-N-[2-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide.
What is the SMILES notation for 4-phenyl-N-[2-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide?
The canonical SMILES for 4-phenyl-N-[2-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide is C[C@H](CC(F)(F)F)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1.
What is the InChIKey of 4-phenyl-N-[2-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide?
The InChIKey is IGKOOWGHTRLYHH-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H29F3N4O/c1-17(16-22(23,24)25)28-14-11-19(12-15-28)29-20(10-13-26-29)27-21(30)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10,13,17,19H,5,8-9,11-12,14-16H2,1H3,(H,27,30)/t17-/m1/s1.
What are the key properties of 4-phenyl-N-[2-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide?
4-phenyl-N-[2-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide has a molecular weight of 422.50 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[2-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide is sourced from PubChem (CID 26326222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).