N,N-dimethyl-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide;2,2,2-trifluoroacetic acid

C18H28F3N5O4 — CID 155842203

IUPACN,N-dimethyl-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)N1CCOCC2(CCN(Cc3nccn3C)C2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H27N5O2.C2HF3O2/c1-18(2)15(22)21-8-9-23-13-16(12-21)4-6-20(11-16)10-14-17-5-7-19(14)3;3-2(4,5)1(6)7/h5,7H,4,6,8-13H2,1-3H3;(H,6,7)
InChIKeyCFDRCBVUVLZBDB-UHFFFAOYSA-N
MW435.45 g/mol
LogP1.26
Rot. Bonds2

About N,N-dimethyl-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155842203) has the molecular formula C18H28F3N5O4 and a molecular weight of 435.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155842203
Molecular FormulaC18H28F3N5O4
Molecular Weight435.45 g/mol
Exact Mass435.21
IUPAC NameN,N-dimethyl-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)N1CCOCC2(CCN(Cc3nccn3C)C2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H27N5O2.C2HF3O2/c1-18(2)15(22)21-8-9-23-13-16(12-21)4-6-20(11-16)10-14-17-5-7-19(14)3;3-2(4,5)1(6)7/h5,7H,4,6,8-13H2,1-3H3;(H,6,7)
InChIKeyCFDRCBVUVLZBDB-UHFFFAOYSA-N
XLogP1.26
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide;2,2,2-trifluoroacetic acid (CID 155842203) is N,N-dimethyl-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)N1CCOCC2(CCN(Cc3nccn3C)C2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is CFDRCBVUVLZBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2.C2HF3O2/c1-18(2)15(22)21-8-9-23-13-16(12-21)4-6-20(11-16)10-14-17-5-7-19(14)3;3-2(4,5)1(6)7/h5,7H,4,6,8-13H2,1-3H3;(H,6,7).
What are the key properties of N,N-dimethyl-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide;2,2,2-trifluoroacetic acid?
N,N-dimethyl-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 435.45 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155842203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).