3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide

C19H21F3N4O — CID 97271885

IUPAC3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CC[C@@H]1CCCN(c2ncccn2)C1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H21F3N4O/c20-19(21,22)15-5-7-16(8-6-15)25-17(27)9-4-14-3-1-12-26(13-14)18-23-10-2-11-24-18/h2,5-8,10-11,14H,1,3-4,9,12-13H2,(H,25,27)/t14-/m0/s1
InChIKeyBEBNIRUHFXQDSN-AWEZNQCLSA-N
MW378.40 g/mol
LogP4.13
Rot. Bonds5

About 3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide

3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 97271885) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is 3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID97271885
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CC[C@@H]1CCCN(c2ncccn2)C1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H21F3N4O/c20-19(21,22)15-5-7-16(8-6-15)25-17(27)9-4-14-3-1-12-26(13-14)18-23-10-2-11-24-18/h2,5-8,10-11,14H,1,3-4,9,12-13H2,(H,25,27)/t14-/m0/s1
InChIKeyBEBNIRUHFXQDSN-AWEZNQCLSA-N
XLogP4.13
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3R)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 97279744
3-[1-(2-pyrazol-1-ylacetyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 45215023
3-[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 45186780
3-[(3S)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 97284094
3-[1-(2-acetylbenzoyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 70720941
3-[(3S)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42466443
3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 45232912
3-[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26315418
3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 45219731
3-[(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42513881
3-[(3R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 97281937
3-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42456464

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide (CID 97271885) is 3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide is O=C(CC[C@@H]1CCCN(c2ncccn2)C1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is BEBNIRUHFXQDSN-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21F3N4O/c20-19(21,22)15-5-7-16(8-6-15)25-17(27)9-4-14-3-1-12-26(13-14)18-23-10-2-11-24-18/h2,5-8,10-11,14H,1,3-4,9,12-13H2,(H,25,27)/t14-/m0/s1.
What are the key properties of 3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 378.40 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 97271885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).