N-[1-[1-methyl-5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]-2-pyrrolidin-2-ylacetamide

C16H28F3N3O2 — CID 123631148

IUPACN-[1-[1-methyl-5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]-2-pyrrolidin-2-ylacetamide
SMILESCC(NC(=O)CC1CCCN1)C1CCC(OCC(F)(F)F)CN1C
InChIInChI=1S/C16H28F3N3O2/c1-11(21-15(23)8-12-4-3-7-20-12)14-6-5-13(9-22(14)2)24-10-16(17,18)19/h11-14,20H,3-10H2,1-2H3,(H,21,23)
InChIKeyYYKIUFJCPIOHHX-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.67
Rot. Bonds6

About N-[1-[1-methyl-5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]-2-pyrrolidin-2-ylacetamide

N-[1-[1-methyl-5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 123631148) has the molecular formula C16H28F3N3O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[1-[1-methyl-5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[1-[1-methyl-5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]-2-pyrrolidin-2-ylacetamide
PubChem CID123631148
Molecular FormulaC16H28F3N3O2
Molecular Weight351.41 g/mol
Exact Mass351.21
IUPAC NameN-[1-[1-methyl-5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]-2-pyrrolidin-2-ylacetamide
SMILESCC(NC(=O)CC1CCCN1)C1CCC(OCC(F)(F)F)CN1C
InChIInChI=1S/C16H28F3N3O2/c1-11(21-15(23)8-12-4-3-7-20-12)14-6-5-13(9-22(14)2)24-10-16(17,18)19/h11-14,20H,3-10H2,1-2H3,(H,21,23)
InChIKeyYYKIUFJCPIOHHX-UHFFFAOYSA-N
XLogP1.67
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-methyl-5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[1-[1-methyl-5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]-2-pyrrolidin-2-ylacetamide (CID 123631148) is N-[1-[1-methyl-5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[1-[1-methyl-5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[1-[1-methyl-5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]-2-pyrrolidin-2-ylacetamide is CC(NC(=O)CC1CCCN1)C1CCC(OCC(F)(F)F)CN1C.
What is the InChIKey of N-[1-[1-methyl-5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is YYKIUFJCPIOHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3N3O2/c1-11(21-15(23)8-12-4-3-7-20-12)14-6-5-13(9-22(14)2)24-10-16(17,18)19/h11-14,20H,3-10H2,1-2H3,(H,21,23).
What are the key properties of N-[1-[1-methyl-5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]-2-pyrrolidin-2-ylacetamide?
N-[1-[1-methyl-5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 351.41 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-methyl-5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 123631148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).