3-[1-[2-chloro-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-cyclopropylpropanamide

C19H22ClF3N2O2 — CID 24817126

IUPAC3-[1-[2-chloro-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-cyclopropylpropanamide
SMILESO=C(CCC1CCN(C(=O)c2cc(C(F)(F)F)ccc2Cl)CC1)NC1CC1
InChIInChI=1S/C19H22ClF3N2O2/c20-16-5-2-13(19(21,22)23)11-15(16)18(27)25-9-7-12(8-10-25)1-6-17(26)24-14-3-4-14/h2,5,11-12,14H,1,3-4,6-10H2,(H,24,26)
InChIKeyVTURWNFEPPAVQH-UHFFFAOYSA-N
MW402.84 g/mol
LogP4.27
Rot. Bonds5

About 3-[1-[2-chloro-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-cyclopropylpropanamide

3-[1-[2-chloro-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-cyclopropylpropanamide (PubChem CID 24817126) has the molecular formula C19H22ClF3N2O2 and a molecular weight of 402.84 g/mol. Its IUPAC name is 3-[1-[2-chloro-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[1-[2-chloro-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-cyclopropylpropanamide
PubChem CID24817126
Molecular FormulaC19H22ClF3N2O2
Molecular Weight402.84 g/mol
Exact Mass402.13
IUPAC Name3-[1-[2-chloro-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-cyclopropylpropanamide
SMILESO=C(CCC1CCN(C(=O)c2cc(C(F)(F)F)ccc2Cl)CC1)NC1CC1
InChIInChI=1S/C19H22ClF3N2O2/c20-16-5-2-13(19(21,22)23)11-15(16)18(27)25-9-7-12(8-10-25)1-6-17(26)24-14-3-4-14/h2,5,11-12,14H,1,3-4,6-10H2,(H,24,26)
InChIKeyVTURWNFEPPAVQH-UHFFFAOYSA-N
XLogP4.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.84
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-chloro-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-cyclopropylpropanamide?
The IUPAC name of 3-[1-[2-chloro-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-cyclopropylpropanamide (CID 24817126) is 3-[1-[2-chloro-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[1-[2-chloro-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[1-[2-chloro-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-cyclopropylpropanamide is O=C(CCC1CCN(C(=O)c2cc(C(F)(F)F)ccc2Cl)CC1)NC1CC1.
What is the InChIKey of 3-[1-[2-chloro-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-cyclopropylpropanamide?
The InChIKey is VTURWNFEPPAVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClF3N2O2/c20-16-5-2-13(19(21,22)23)11-15(16)18(27)25-9-7-12(8-10-25)1-6-17(26)24-14-3-4-14/h2,5,11-12,14H,1,3-4,6-10H2,(H,24,26).
What are the key properties of 3-[1-[2-chloro-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-cyclopropylpropanamide?
3-[1-[2-chloro-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-cyclopropylpropanamide has a molecular weight of 402.84 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-chloro-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 24817126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).