1'-(cyclopropylmethyl)-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide

C19H26FN3O — CID 97452575

IUPAC1'-(cyclopropylmethyl)-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)N1CC2(CCN(CC3CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C19H26FN3O/c1-21(2)18(24)23-13-19(16-11-15(20)5-6-17(16)23)7-9-22(10-8-19)12-14-3-4-14/h5-6,11,14H,3-4,7-10,12-13H2,1-2H3
InChIKeyHAEGOLAIUVSSQL-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.07
Rot. Bonds2

About 1'-(cyclopropylmethyl)-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide

1'-(cyclopropylmethyl)-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 97452575) has the molecular formula C19H26FN3O and a molecular weight of 331.44 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name1'-(cyclopropylmethyl)-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID97452575
Molecular FormulaC19H26FN3O
Molecular Weight331.44 g/mol
Exact Mass331.21
IUPAC Name1'-(cyclopropylmethyl)-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)N1CC2(CCN(CC3CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C19H26FN3O/c1-21(2)18(24)23-13-19(16-11-15(20)5-6-17(16)23)7-9-22(10-8-19)12-14-3-4-14/h5-6,11,14H,3-4,7-10,12-13H2,1-2H3
InChIKeyHAEGOLAIUVSSQL-UHFFFAOYSA-N
XLogP3.07
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 1'-(cyclopropylmethyl)-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 97452575) is 1'-(cyclopropylmethyl)-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 1'-(cyclopropylmethyl)-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 1'-(cyclopropylmethyl)-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide is CN(C)C(=O)N1CC2(CCN(CC3CC3)CC2)c2cc(F)ccc21.
What is the InChIKey of 1'-(cyclopropylmethyl)-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is HAEGOLAIUVSSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O/c1-21(2)18(24)23-13-19(16-11-15(20)5-6-17(16)23)7-9-22(10-8-19)12-14-3-4-14/h5-6,11,14H,3-4,7-10,12-13H2,1-2H3.
What are the key properties of 1'-(cyclopropylmethyl)-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
1'-(cyclopropylmethyl)-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 97452575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).