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

C21H25F3N2O4 — CID 118742387

IUPACN-cyclopropyl-1'-(2-hydroxyethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CC1)C1=CC2(CCN(CCO)CC2)c2ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C19H24N2O2.C2HF3O2/c22-12-11-21-9-7-19(8-10-21)13-16(18(23)20-14-5-6-14)15-3-1-2-4-17(15)19;3-2(4,5)1(6)7/h1-4,13-14,22H,5-12H2,(H,20,23);(H,6,7)
InChIKeyWRGFHEYJOPXKQP-UHFFFAOYSA-N
MW426.44 g/mol
LogP2.32
Rot. Bonds4

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

N-cyclopropyl-1'-(2-hydroxyethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118742387) has the molecular formula C21H25F3N2O4 and a molecular weight of 426.44 g/mol. Its IUPAC name is N-cyclopropyl-1'-(2-hydroxyethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-cyclopropyl-1'-(2-hydroxyethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118742387
Molecular FormulaC21H25F3N2O4
Molecular Weight426.44 g/mol
Exact Mass426.18
IUPAC NameN-cyclopropyl-1'-(2-hydroxyethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CC1)C1=CC2(CCN(CCO)CC2)c2ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C19H24N2O2.C2HF3O2/c22-12-11-21-9-7-19(8-10-21)13-16(18(23)20-14-5-6-14)15-3-1-2-4-17(15)19;3-2(4,5)1(6)7/h1-4,13-14,22H,5-12H2,(H,20,23);(H,6,7)
InChIKeyWRGFHEYJOPXKQP-UHFFFAOYSA-N
XLogP2.32
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-cyclopropyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid
CID 118742386
N-cyclopropyl-1'-(cyclopropylmethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid
CID 118742401
N-cyclopropyl-1'-(2-methylpropyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid
CID 118742404
(1'-Methylspiro[indene-3,4'-piperidine]-1-yl)-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 118743558
[1'-(2-Hydroxyethyl)spiro[indene-3,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 118743566
N,N-dimethyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid
CID 118743585

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1'-(2-hydroxyethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-cyclopropyl-1'-(2-hydroxyethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid (CID 118742387) is N-cyclopropyl-1'-(2-hydroxyethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-cyclopropyl-1'-(2-hydroxyethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-cyclopropyl-1'-(2-hydroxyethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid is O=C(NC1CC1)C1=CC2(CCN(CCO)CC2)c2ccccc21.O=C(O)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-1'-(2-hydroxyethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is WRGFHEYJOPXKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.C2HF3O2/c22-12-11-21-9-7-19(8-10-21)13-16(18(23)20-14-5-6-14)15-3-1-2-4-17(15)19;3-2(4,5)1(6)7/h1-4,13-14,22H,5-12H2,(H,20,23);(H,6,7).
What are the key properties of N-cyclopropyl-1'-(2-hydroxyethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid?
N-cyclopropyl-1'-(2-hydroxyethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 426.44 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1'-(2-hydroxyethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).