N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide

C16H24F3N3O2 — CID 126807373

IUPACN-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide
SMILESO=C(CC(F)(F)F)N1CCC(NC(=O)C23CCCN2CCC3)CC1
InChIInChI=1S/C16H24F3N3O2/c17-16(18,19)11-13(23)21-9-3-12(4-10-21)20-14(24)15-5-1-7-22(15)8-2-6-15/h12H,1-11H2,(H,20,24)
InChIKeySDBPCZGGDMJDFE-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.67
Rot. Bonds3

About N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide

N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide (PubChem CID 126807373) has the molecular formula C16H24F3N3O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide.

Molecular Properties

Compound NameN-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide
PubChem CID126807373
Molecular FormulaC16H24F3N3O2
Molecular Weight347.38 g/mol
Exact Mass347.18
IUPAC NameN-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide
SMILESO=C(CC(F)(F)F)N1CCC(NC(=O)C23CCCN2CCC3)CC1
InChIInChI=1S/C16H24F3N3O2/c17-16(18,19)11-13(23)21-9-3-12(4-10-21)20-14(24)15-5-1-7-22(15)8-2-6-15/h12H,1-11H2,(H,20,24)
InChIKeySDBPCZGGDMJDFE-UHFFFAOYSA-N
XLogP1.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide with MolForge

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Related Compounds

3,3,3-trifluoro-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 60818049
2-cyclopropyl-3-oxo-3-[[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]amino]propanoic acid
CID 154865673
N-cyclohexyl-1-piperidin-1-ylcyclopropane-1-carboxamide
CID 69234976
1-(4-aminopiperidin-1-yl)-3,3,3-trifluoropropan-1-one
CID 16776828
N-[1-(4-methylbenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 118789924
N-cyclopropyl-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 74229943
1-[cyclopropyl(oxan-2-yl)methyl]-3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]urea
CID 126825595
1-(3-chloropyrrolidin-1-yl)-3,3,3-trifluoropropan-1-one
CID 63397799
3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119490768
1-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]cyclobutane-1-carboxamide
CID 81178645
1-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119307388
N-(1-benzylpyrrolidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131915786

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide?
The IUPAC name of N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide (CID 126807373) is N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide.
What is the SMILES notation for N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide?
The canonical SMILES for N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide is O=C(CC(F)(F)F)N1CCC(NC(=O)C23CCCN2CCC3)CC1.
What is the InChIKey of N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide?
The InChIKey is SDBPCZGGDMJDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O2/c17-16(18,19)11-13(23)21-9-3-12(4-10-21)20-14(24)15-5-1-7-22(15)8-2-6-15/h12H,1-11H2,(H,20,24).
What are the key properties of N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide?
N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide is sourced from PubChem (CID 126807373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).