2-piperidin-3-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide

C14H24F3N3O — CID 62675609

IUPAC2-piperidin-3-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
SMILESO=C(CC1CCCNC1)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C14H24F3N3O/c15-14(16,17)10-20-5-3-12(9-20)8-19-13(21)6-11-2-1-4-18-7-11/h11-12,18H,1-10H2,(H,19,21)
InChIKeyNBBZRTMSGCGXMO-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.38
Rot. Bonds5

About 2-piperidin-3-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide

2-piperidin-3-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide (PubChem CID 62675609) has the molecular formula C14H24F3N3O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-piperidin-3-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-piperidin-3-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
PubChem CID62675609
Molecular FormulaC14H24F3N3O
Molecular Weight307.36 g/mol
Exact Mass307.19
IUPAC Name2-piperidin-3-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
SMILESO=C(CC1CCCNC1)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C14H24F3N3O/c15-14(16,17)10-20-5-3-12(9-20)8-19-13(21)6-11-2-1-4-18-7-11/h11-12,18H,1-10H2,(H,19,21)
InChIKeyNBBZRTMSGCGXMO-UHFFFAOYSA-N
XLogP1.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-piperidin-3-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide (CID 62675609) is 2-piperidin-3-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-piperidin-3-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-piperidin-3-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide is O=C(CC1CCCNC1)NCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 2-piperidin-3-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is NBBZRTMSGCGXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O/c15-14(16,17)10-20-5-3-12(9-20)8-19-13(21)6-11-2-1-4-18-7-11/h11-12,18H,1-10H2,(H,19,21).
What are the key properties of 2-piperidin-3-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide?
2-piperidin-3-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 307.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 62675609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).