1-[1-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2-methoxyethanone

C19H25FN2O2 — CID 97452554

IUPAC1-[1-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(CC1)CN(CC1CC1)c1ccc(F)cc12
InChIInChI=1S/C19H25FN2O2/c1-24-12-18(23)21-8-6-19(7-9-21)13-22(11-14-2-3-14)17-5-4-15(20)10-16(17)19/h4-5,10,14H,2-3,6-9,11-13H2,1H3
InChIKeyPOINOHJPHWWKPK-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.56
Rot. Bonds4

About 1-[1-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2-methoxyethanone

1-[1-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2-methoxyethanone (PubChem CID 97452554) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2-methoxyethanone
PubChem CID97452554
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name1-[1-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(CC1)CN(CC1CC1)c1ccc(F)cc12
InChIInChI=1S/C19H25FN2O2/c1-24-12-18(23)21-8-6-19(7-9-21)13-22(11-14-2-3-14)17-5-4-15(20)10-16(17)19/h4-5,10,14H,2-3,6-9,11-13H2,1H3
InChIKeyPOINOHJPHWWKPK-UHFFFAOYSA-N
XLogP2.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2-methoxyethanone?
The IUPAC name of 1-[1-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2-methoxyethanone (CID 97452554) is 1-[1-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2-methoxyethanone?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2-methoxyethanone is COCC(=O)N1CCC2(CC1)CN(CC1CC1)c1ccc(F)cc12.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2-methoxyethanone?
The InChIKey is POINOHJPHWWKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-24-12-18(23)21-8-6-19(7-9-21)13-22(11-14-2-3-14)17-5-4-15(20)10-16(17)19/h4-5,10,14H,2-3,6-9,11-13H2,1H3.
What are the key properties of 1-[1-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2-methoxyethanone?
1-[1-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2-methoxyethanone has a molecular weight of 332.42 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2-methoxyethanone is sourced from PubChem (CID 97452554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).