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

C21H27F3N2O3 — CID 118743585

IUPACN,N-dimethyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCC2(C=C(C(=O)N(C)C)c3ccccc32)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H26N2O.C2HF3O2/c1-14(2)21-11-9-19(10-12-21)13-16(18(22)20(3)4)15-7-5-6-8-17(15)19;3-2(4,5)1(6)7/h5-8,13-14H,9-12H2,1-4H3;(H,6,7)
InChIKeyAFAYRMHLCRTQET-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.55
Rot. Bonds2

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

N,N-dimethyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118743585) has the molecular formula C21H27F3N2O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N,N-dimethyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118743585
Molecular FormulaC21H27F3N2O3
Molecular Weight412.45 g/mol
Exact Mass412.20
IUPAC NameN,N-dimethyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCC2(C=C(C(=O)N(C)C)c3ccccc32)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H26N2O.C2HF3O2/c1-14(2)21-11-9-19(10-12-21)13-16(18(22)20(3)4)15-7-5-6-8-17(15)19;3-2(4,5)1(6)7/h5-8,13-14H,9-12H2,1-4H3;(H,6,7)
InChIKeyAFAYRMHLCRTQET-UHFFFAOYSA-N
XLogP3.55
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1'-(2-methylpropyl)spiro[indene-3,4'-piperidine]-1-carboxamide
CID 97504198
1'-ethyl-N,N-dimethylspiro[indene-3,4'-piperidine]-1-carboxamide
CID 97400462
1'-acetyl-N-cyclopropylspiro[indene-3,4'-piperidine]-1-carboxamide
CID 97400464
N,N,1'-trimethylspiro[indene-3,4'-piperidine]-1-carboxamide
CID 97504196
N,N-dimethyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide
CID 97504197
N,N-dimethyl-1'-propanoylspiro[indene-3,4'-piperidine]-1-carboxamide
CID 97504199
(1'-Methylspiro[indene-3,4'-piperidine]-1-yl)-pyrrolidin-1-ylmethanone
CID 97504214
[1'-(2-Methylpropyl)spiro[indene-3,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone
CID 97504215
1-[3-(Pyrrolidine-1-carbonyl)spiro[indene-1,4'-piperidine]-1'-yl]propan-1-one
CID 97504216
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'-(cyclopropylmethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid
CID 118742401

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid (CID 118743585) is N,N-dimethyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid is CC(C)N1CCC2(C=C(C(=O)N(C)C)c3ccccc32)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is AFAYRMHLCRTQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O.C2HF3O2/c1-14(2)21-11-9-19(10-12-21)13-16(18(22)20(3)4)15-7-5-6-8-17(15)19;3-2(4,5)1(6)7/h5-8,13-14H,9-12H2,1-4H3;(H,6,7).
What are the key properties of N,N-dimethyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid?
N,N-dimethyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 412.45 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).