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

C23H29F3N2O3 — CID 118742404

IUPACN-cyclopropyl-1'-(2-methylpropyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)CN1CCC2(C=C(C(=O)NC3CC3)c3ccccc32)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H28N2O.C2HF3O2/c1-15(2)14-23-11-9-21(10-12-23)13-18(20(24)22-16-7-8-16)17-5-3-4-6-19(17)21;3-2(4,5)1(6)7/h3-6,13,15-16H,7-12,14H2,1-2H3,(H,22,24);(H,6,7)
InChIKeyUGPBXQBSUDMQBI-UHFFFAOYSA-N
MW438.49 g/mol
LogP3.99
Rot. Bonds4

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

N-cyclopropyl-1'-(2-methylpropyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118742404) has the molecular formula C23H29F3N2O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is N-cyclopropyl-1'-(2-methylpropyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-cyclopropyl-1'-(2-methylpropyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118742404
Molecular FormulaC23H29F3N2O3
Molecular Weight438.49 g/mol
Exact Mass438.21
IUPAC NameN-cyclopropyl-1'-(2-methylpropyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)CN1CCC2(C=C(C(=O)NC3CC3)c3ccccc32)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H28N2O.C2HF3O2/c1-15(2)14-23-11-9-21(10-12-23)13-18(20(24)22-16-7-8-16)17-5-3-4-6-19(17)21;3-2(4,5)1(6)7/h3-6,13,15-16H,7-12,14H2,1-2H3,(H,22,24);(H,6,7)
InChIKeyUGPBXQBSUDMQBI-UHFFFAOYSA-N
XLogP3.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-{1-[(2-methylphenyl)acetyl]-4-piperidinyl}propanamide
CID 42095003
N-((1-isopropylpiperidin-4-yl)methyl)-2-(trifluoromethyl)benzamide
CID 16895442
[(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
[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]amino]-1-oxopropan-2-yl]-trimethylazanium;2,2,2-trifluoroacetate
CID 134144324
Methyl 4-((2-(trifluoromethyl)benzamido)methyl)piperidine-1-carboxylate
CID 49688816
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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1'-(2-methylpropyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-cyclopropyl-1'-(2-methylpropyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid (CID 118742404) is N-cyclopropyl-1'-(2-methylpropyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-cyclopropyl-1'-(2-methylpropyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-cyclopropyl-1'-(2-methylpropyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid is CC(C)CN1CCC2(C=C(C(=O)NC3CC3)c3ccccc32)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-1'-(2-methylpropyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is UGPBXQBSUDMQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O.C2HF3O2/c1-15(2)14-23-11-9-21(10-12-23)13-18(20(24)22-16-7-8-16)17-5-3-4-6-19(17)21;3-2(4,5)1(6)7/h3-6,13,15-16H,7-12,14H2,1-2H3,(H,22,24);(H,6,7).
What are the key properties of N-cyclopropyl-1'-(2-methylpropyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid?
N-cyclopropyl-1'-(2-methylpropyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 438.49 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1'-(2-methylpropyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).