N,N-dimethyl-5-[5-[(2R)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine

C21H38F3N5O2 — CID 162808676

IUPACN,N-dimethyl-5-[5-[(2R)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine
SMILESCN(C)C1CCC(C2NOC([C@H]3CCCN3CC3CCCC(OC(F)(F)F)C3)N2)CN1
InChIInChI=1S/C21H38F3N5O2/c1-28(2)18-9-8-15(12-25-18)19-26-20(31-27-19)17-7-4-10-29(17)13-14-5-3-6-16(11-14)30-21(22,23)24/h14-20,25-27H,3-13H2,1-2H3/t14?,15?,16?,17-,18?,19?,20?/m1/s1
InChIKeyVUGQGHFWOYEXOW-SBXUMLPXSA-N
MW449.56 g/mol
LogP2.21
Rot. Bonds6

About N,N-dimethyl-5-[5-[(2R)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine

N,N-dimethyl-5-[5-[(2R)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine (PubChem CID 162808676) has the molecular formula C21H38F3N5O2 and a molecular weight of 449.56 g/mol. Its IUPAC name is N,N-dimethyl-5-[5-[(2R)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[5-[(2R)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine
PubChem CID162808676
Molecular FormulaC21H38F3N5O2
Molecular Weight449.56 g/mol
Exact Mass449.30
IUPAC NameN,N-dimethyl-5-[5-[(2R)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine
SMILESCN(C)C1CCC(C2NOC([C@H]3CCCN3CC3CCCC(OC(F)(F)F)C3)N2)CN1
InChIInChI=1S/C21H38F3N5O2/c1-28(2)18-9-8-15(12-25-18)19-26-20(31-27-19)17-7-4-10-29(17)13-14-5-3-6-16(11-14)30-21(22,23)24/h14-20,25-27H,3-13H2,1-2H3/t14?,15?,16?,17-,18?,19?,20?/m1/s1
InChIKeyVUGQGHFWOYEXOW-SBXUMLPXSA-N
XLogP2.21
TPSA61.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-5-[5-[(2R)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[5-[(2R)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine?
The IUPAC name of N,N-dimethyl-5-[5-[(2R)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine (CID 162808676) is N,N-dimethyl-5-[5-[(2R)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[5-[(2R)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[5-[(2R)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine is CN(C)C1CCC(C2NOC([C@H]3CCCN3CC3CCCC(OC(F)(F)F)C3)N2)CN1.
What is the InChIKey of N,N-dimethyl-5-[5-[(2R)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine?
The InChIKey is VUGQGHFWOYEXOW-SBXUMLPXSA-N. The full InChI is InChI=1S/C21H38F3N5O2/c1-28(2)18-9-8-15(12-25-18)19-26-20(31-27-19)17-7-4-10-29(17)13-14-5-3-6-16(11-14)30-21(22,23)24/h14-20,25-27H,3-13H2,1-2H3/t14?,15?,16?,17-,18?,19?,20?/m1/s1.
What are the key properties of N,N-dimethyl-5-[5-[(2R)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine?
N,N-dimethyl-5-[5-[(2R)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine has a molecular weight of 449.56 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[5-[(2R)-1-[[3-(trifluoromethoxy)cyclohexyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-2-amine is sourced from PubChem (CID 162808676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).