3-piperidin-3-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide

C18H25F3N2O2 — CID 119769268

IUPAC3-piperidin-3-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide
SMILESCC(CC(=O)NCC(O)(c1ccccc1)C(F)(F)F)C1CCCNC1
InChIInChI=1S/C18H25F3N2O2/c1-13(14-6-5-9-22-11-14)10-16(24)23-12-17(25,18(19,20)21)15-7-3-2-4-8-15/h2-4,7-8,13-14,22,25H,5-6,9-12H2,1H3,(H,23,24)
InChIKeyVYYHYXIHAOXZSS-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.58
Rot. Bonds6

About 3-piperidin-3-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide

3-piperidin-3-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide (PubChem CID 119769268) has the molecular formula C18H25F3N2O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide.

Molecular Properties

Compound Name3-piperidin-3-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide
PubChem CID119769268
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC Name3-piperidin-3-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide
SMILESCC(CC(=O)NCC(O)(c1ccccc1)C(F)(F)F)C1CCCNC1
InChIInChI=1S/C18H25F3N2O2/c1-13(14-6-5-9-22-11-14)10-16(24)23-12-17(25,18(19,20)21)15-7-3-2-4-8-15/h2-4,7-8,13-14,22,25H,5-6,9-12H2,1H3,(H,23,24)
InChIKeyVYYHYXIHAOXZSS-UHFFFAOYSA-N
XLogP2.58
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide
CID 119738344
N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917
N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 122080829
N-[2-(benzenesulfonamido)ethyl]-3-piperidin-3-ylbutanamide
CID 119704258
3-piperidin-3-yl-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide
CID 119801841
3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119671265
N-(2,3-dihydroxy-2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81044622
N-(2-methyl-2-thiophen-2-ylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119787657
3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119686323
3-piperidin-3-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119706901
3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 81043996
N-(2-methyl-2-methylsulfanylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119790992

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide?
The IUPAC name of 3-piperidin-3-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide (CID 119769268) is 3-piperidin-3-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide.
What is the SMILES notation for 3-piperidin-3-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide?
The canonical SMILES for 3-piperidin-3-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide is CC(CC(=O)NCC(O)(c1ccccc1)C(F)(F)F)C1CCCNC1.
What is the InChIKey of 3-piperidin-3-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide?
The InChIKey is VYYHYXIHAOXZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2/c1-13(14-6-5-9-22-11-14)10-16(24)23-12-17(25,18(19,20)21)15-7-3-2-4-8-15/h2-4,7-8,13-14,22,25H,5-6,9-12H2,1H3,(H,23,24).
What are the key properties of 3-piperidin-3-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide?
3-piperidin-3-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide has a molecular weight of 358.40 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)butanamide is sourced from PubChem (CID 119769268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).