N-cyclopropyl-1'-(cyclopropylmethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid

C23H27F3N2O3 — CID 118742401

IUPACN-cyclopropyl-1'-(cyclopropylmethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CC1)C1=CC2(CCN(CC3CC3)CC2)c2ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C21H26N2O.C2HF3O2/c24-20(22-16-7-8-16)18-13-21(19-4-2-1-3-17(18)19)9-11-23(12-10-21)14-15-5-6-15;3-2(4,5)1(6)7/h1-4,13,15-16H,5-12,14H2,(H,22,24);(H,6,7)
InChIKeyFBSHEQKNHHYJPY-UHFFFAOYSA-N
MW436.47 g/mol
LogP3.74
Rot. Bonds4

About N-cyclopropyl-1'-(cyclopropylmethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid

N-cyclopropyl-1'-(cyclopropylmethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118742401) has the molecular formula C23H27F3N2O3 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-cyclopropyl-1'-(cyclopropylmethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-cyclopropyl-1'-(cyclopropylmethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118742401
Molecular FormulaC23H27F3N2O3
Molecular Weight436.47 g/mol
Exact Mass436.20
IUPAC NameN-cyclopropyl-1'-(cyclopropylmethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CC1)C1=CC2(CCN(CC3CC3)CC2)c2ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C21H26N2O.C2HF3O2/c24-20(22-16-7-8-16)18-13-21(19-4-2-1-3-17(18)19)9-11-23(12-10-21)14-15-5-6-15;3-2(4,5)1(6)7/h1-4,13,15-16H,5-12,14H2,(H,22,24);(H,6,7)
InChIKeyFBSHEQKNHHYJPY-UHFFFAOYSA-N
XLogP3.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(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
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)-2-phenyl-N-(2-spiro[indene-1,4'-piperidine]-1'-ylethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 53470094
trans-(1S,2S)-2-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 53470096
N-cyclopropyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid
CID 118742386
N-cyclopropyl-1'-(2-hydroxyethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid
CID 118742387
N-cyclopropyl-1'-(2-methylpropyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid
CID 118742404

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1'-(cyclopropylmethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-cyclopropyl-1'-(cyclopropylmethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid (CID 118742401) is N-cyclopropyl-1'-(cyclopropylmethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-cyclopropyl-1'-(cyclopropylmethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-cyclopropyl-1'-(cyclopropylmethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid is O=C(NC1CC1)C1=CC2(CCN(CC3CC3)CC2)c2ccccc21.O=C(O)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-1'-(cyclopropylmethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is FBSHEQKNHHYJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O.C2HF3O2/c24-20(22-16-7-8-16)18-13-21(19-4-2-1-3-17(18)19)9-11-23(12-10-21)14-15-5-6-15;3-2(4,5)1(6)7/h1-4,13,15-16H,5-12,14H2,(H,22,24);(H,6,7).
What are the key properties of N-cyclopropyl-1'-(cyclopropylmethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid?
N-cyclopropyl-1'-(cyclopropylmethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 436.47 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1'-(cyclopropylmethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).