N-cyclopropyl-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide

C13H21F3N2O3S — CID 42193534

IUPACN-cyclopropyl-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(S(=O)(=O)CC(F)(F)F)CC1)NC1CC1
InChIInChI=1S/C13H21F3N2O3S/c14-13(15,16)9-22(20,21)18-7-5-10(6-8-18)1-4-12(19)17-11-2-3-11/h10-11H,1-9H2,(H,17,19)
InChIKeyHPNOWRUBFDQAFW-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.65
Rot. Bonds6

About N-cyclopropyl-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide

N-cyclopropyl-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide (PubChem CID 42193534) has the molecular formula C13H21F3N2O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide
PubChem CID42193534
Molecular FormulaC13H21F3N2O3S
Molecular Weight342.38 g/mol
Exact Mass342.12
IUPAC NameN-cyclopropyl-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(S(=O)(=O)CC(F)(F)F)CC1)NC1CC1
InChIInChI=1S/C13H21F3N2O3S/c14-13(15,16)9-22(20,21)18-7-5-10(6-8-18)1-4-12(19)17-11-2-3-11/h10-11H,1-9H2,(H,17,19)
InChIKeyHPNOWRUBFDQAFW-UHFFFAOYSA-N
XLogP1.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide (CID 42193534) is N-cyclopropyl-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide is O=C(CCC1CCN(S(=O)(=O)CC(F)(F)F)CC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide?
The InChIKey is HPNOWRUBFDQAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O3S/c14-13(15,16)9-22(20,21)18-7-5-10(6-8-18)1-4-12(19)17-11-2-3-11/h10-11H,1-9H2,(H,17,19).
What are the key properties of N-cyclopropyl-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide?
N-cyclopropyl-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide has a molecular weight of 342.38 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 42193534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).