[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid

C19H27F3N4O3 — CID 118742792

IUPAC[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCn1ccnc1C(=O)N1CCC2(CCCN2CC2CC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N4O.C2HF3O2/c1-19-12-8-18-15(19)16(22)20-10-6-17(7-11-20)5-2-9-21(17)13-14-3-4-14;3-2(4,5)1(6)7/h8,12,14H,2-7,9-11,13H2,1H3;(H,6,7)
InChIKeyJJLOHLPWCRJPIR-UHFFFAOYSA-N
MW416.44 g/mol
LogP2.53
Rot. Bonds3

About [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid

[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 118742792) has the molecular formula C19H27F3N4O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID118742792
Molecular FormulaC19H27F3N4O3
Molecular Weight416.44 g/mol
Exact Mass416.20
IUPAC Name[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCn1ccnc1C(=O)N1CCC2(CCCN2CC2CC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N4O.C2HF3O2/c1-19-12-8-18-15(19)16(22)20-10-6-17(7-11-20)5-2-9-21(17)13-14-3-4-14;3-2(4,5)1(6)7/h8,12,14H,2-7,9-11,13H2,1H3;(H,6,7)
InChIKeyJJLOHLPWCRJPIR-UHFFFAOYSA-N
XLogP2.53
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone;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 [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid (CID 118742792) is [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid is Cn1ccnc1C(=O)N1CCC2(CCCN2CC2CC2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is JJLOHLPWCRJPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O.C2HF3O2/c1-19-12-8-18-15(19)16(22)20-10-6-17(7-11-20)5-2-9-21(17)13-14-3-4-14;3-2(4,5)1(6)7/h8,12,14H,2-7,9-11,13H2,1H3;(H,6,7).
What are the key properties of [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid?
[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 416.44 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).