N-(cyclopropylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide

C13H20F3N3O2 — CID 46672504

IUPACN-(cyclopropylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESCC(C(=O)NC(=O)NC1CC1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H20F3N3O2/c1-8(11(20)18-12(21)17-10-4-5-10)19-6-2-3-9(7-19)13(14,15)16/h8-10H,2-7H2,1H3,(H2,17,18,20,21)
InChIKeyLZXSSFQEASUDAJ-UHFFFAOYSA-N
MW307.32 g/mol
LogP1.64
Rot. Bonds3

About N-(cyclopropylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide

N-(cyclopropylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide (PubChem CID 46672504) has the molecular formula C13H20F3N3O2 and a molecular weight of 307.32 g/mol. Its IUPAC name is N-(cyclopropylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(cyclopropylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
PubChem CID46672504
Molecular FormulaC13H20F3N3O2
Molecular Weight307.32 g/mol
Exact Mass307.15
IUPAC NameN-(cyclopropylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESCC(C(=O)NC(=O)NC1CC1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H20F3N3O2/c1-8(11(20)18-12(21)17-10-4-5-10)19-6-2-3-9(7-19)13(14,15)16/h8-10H,2-7H2,1H3,(H2,17,18,20,21)
InChIKeyLZXSSFQEASUDAJ-UHFFFAOYSA-N
XLogP1.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(cyclopropylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide (CID 46672504) is N-(cyclopropylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(cyclopropylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(cyclopropylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide is CC(C(=O)NC(=O)NC1CC1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(cyclopropylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
The InChIKey is LZXSSFQEASUDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O2/c1-8(11(20)18-12(21)17-10-4-5-10)19-6-2-3-9(7-19)13(14,15)16/h8-10H,2-7H2,1H3,(H2,17,18,20,21).
What are the key properties of N-(cyclopropylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
N-(cyclopropylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide has a molecular weight of 307.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 46672504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).