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

C19H25F3N2O4 — CID 155849910

IUPAC[8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-(furan-2-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1ccco1)N1CCCC12CCN(CC1CC1)CC2
InChIInChI=1S/C17H24N2O2.C2HF3O2/c20-16(15-3-1-12-21-15)19-9-2-6-17(19)7-10-18(11-8-17)13-14-4-5-14;3-2(4,5)1(6)7/h1,3,12,14H,2,4-11,13H2;(H,6,7)
InChIKeyGCHYENSHASPWDU-UHFFFAOYSA-N
MW402.41 g/mol
LogP3.39
Rot. Bonds3

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

[8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-(furan-2-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155849910) has the molecular formula C19H25F3N2O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is [8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-(furan-2-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-(furan-2-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155849910
Molecular FormulaC19H25F3N2O4
Molecular Weight402.41 g/mol
Exact Mass402.18
IUPAC Name[8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-(furan-2-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1ccco1)N1CCCC12CCN(CC1CC1)CC2
InChIInChI=1S/C17H24N2O2.C2HF3O2/c20-16(15-3-1-12-21-15)19-9-2-6-17(19)7-10-18(11-8-17)13-14-4-5-14;3-2(4,5)1(6)7/h1,3,12,14H,2,4-11,13H2;(H,6,7)
InChIKeyGCHYENSHASPWDU-UHFFFAOYSA-N
XLogP3.39
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-(furan-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

Related Compounds

9-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155847690
1-benzyl-8-(oxan-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155829263
8-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
CID 155824993
9-(cyclopropylmethyl)-3-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155833804
1-(cyclopropylmethyl)-8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155845145
8-(cyclopropylmethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 118742826
9-(oxolan-3-ylmethyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155838750
[7-(cyclopropylmethyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(furan-2-yl)methanone
CID 131656186
8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155856222
1-benzyl-9-(cyclopropylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131681152
6-(furan-2-carbonyl)-2-methyl-2,6-diazaspiro[4.5]decan-3-one
CID 134073885
furan-2-yl-[4-[[1-[(2S)-oxan-2-yl]cyclobutyl]methyl]piperazin-1-yl]methanone
CID 164630611

Frequently Asked Questions

What is the IUPAC name of [8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-(furan-2-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-(furan-2-yl)methanone;2,2,2-trifluoroacetic acid (CID 155849910) is [8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-(furan-2-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-(furan-2-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-(furan-2-yl)methanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1ccco1)N1CCCC12CCN(CC1CC1)CC2.
What is the InChIKey of [8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-(furan-2-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is GCHYENSHASPWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.C2HF3O2/c20-16(15-3-1-12-21-15)19-9-2-6-17(19)7-10-18(11-8-17)13-14-4-5-14;3-2(4,5)1(6)7/h1,3,12,14H,2,4-11,13H2;(H,6,7).
What are the key properties of [8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-(furan-2-yl)methanone;2,2,2-trifluoroacetic acid?
[8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-(furan-2-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 402.41 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-(furan-2-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155849910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).