N-cyclopropyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid

C22H27F3N2O3 — CID 118742386

IUPACN-cyclopropyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCC2(C=C(C(=O)NC3CC3)c3ccccc32)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H26N2O.C2HF3O2/c1-14(2)22-11-9-20(10-12-22)13-17(19(23)21-15-7-8-15)16-5-3-4-6-18(16)20;3-2(4,5)1(6)7/h3-6,13-15H,7-12H2,1-2H3,(H,21,23);(H,6,7)
InChIKeyFQEZDXRDMVAGPD-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.74
Rot. Bonds3

About N-cyclopropyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid

N-cyclopropyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118742386) has the molecular formula C22H27F3N2O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-cyclopropyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-cyclopropyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118742386
Molecular FormulaC22H27F3N2O3
Molecular Weight424.46 g/mol
Exact Mass424.20
IUPAC NameN-cyclopropyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCC2(C=C(C(=O)NC3CC3)c3ccccc32)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H26N2O.C2HF3O2/c1-14(2)22-11-9-20(10-12-22)13-17(19(23)21-15-7-8-15)16-5-3-4-6-18(16)20;3-2(4,5)1(6)7/h3-6,13-15H,7-12H2,1-2H3,(H,21,23);(H,6,7)
InChIKeyFQEZDXRDMVAGPD-UHFFFAOYSA-N
XLogP3.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indene-1-carboxamide
CID 14809267
acetic acid;N-(piperidin-2-ylmethyl)-2,5-bis(3,3,3-trifluoropropyl)benzamide
CID 44332965
[(1S)-2-(aminomethyl)-1-phenylcyclopropyl]-(2,6-dimethylpiperidin-1-yl)methanone;(E)-but-2-enedioic acid
CID 70693895
1'-acetyl-N-cyclopropylspiro[indene-3,4'-piperidine]-1-carboxamide
CID 97400464
Pyrrolidin-1-yl(spiro[indene-1,4'-piperidin]-3-yl)methanone
CID 97504213
N-cyclopropyl-1'-ethylspiro[indene-3,4'-piperidine]-1-carboxamide
CID 97504220
N-cyclopropyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide
CID 97504221
N-cyclopropyl-1'-(2-methylpropyl)spiro[indene-3,4'-piperidine]-1-carboxamide
CID 97504222
N-cyclopropyl-1'-(cyclopropylmethyl)spiro[indene-3,4'-piperidine]-1-carboxamide
CID 97504223
N-cyclopropyl-1'-(2-hydroxyethyl)spiro[indene-3,4'-piperidine]-1-carboxamide
CID 97504224
trans-(1S,2S)-N-[2-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-phenylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 53470092
trans-(1S,2S)-2-phenyl-N-(2-spiro[indene-1,4'-piperidine]-1'-ylethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 53470094

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-cyclopropyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid (CID 118742386) is N-cyclopropyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-cyclopropyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-cyclopropyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid is CC(C)N1CCC2(C=C(C(=O)NC3CC3)c3ccccc32)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is FQEZDXRDMVAGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.C2HF3O2/c1-14(2)22-11-9-20(10-12-22)13-17(19(23)21-15-7-8-15)16-5-3-4-6-18(16)20;3-2(4,5)1(6)7/h3-6,13-15H,7-12H2,1-2H3,(H,21,23);(H,6,7).
What are the key properties of N-cyclopropyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid?
N-cyclopropyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 424.46 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).