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

C26H35FN6O — CID 23651130

IUPAC1'-[1-(3-ethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCCc1nccnc1N1CCC(N2CCC3(CC2)CN(C(=O)N(C)C)c2ccc(F)cc23)CC1
InChIInChI=1S/C26H35FN6O/c1-4-22-24(29-12-11-28-22)32-13-7-20(8-14-32)31-15-9-26(10-16-31)18-33(25(34)30(2)3)23-6-5-19(27)17-21(23)26/h5-6,11-12,17,20H,4,7-10,13-16,18H2,1-3H3
InChIKeyHSIZGPQSSMUDPW-UHFFFAOYSA-N
MW466.61 g/mol
LogP3.68
Rot. Bonds3

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

1'-[1-(3-ethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 23651130) has the molecular formula C26H35FN6O and a molecular weight of 466.61 g/mol. Its IUPAC name is 1'-[1-(3-ethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name1'-[1-(3-ethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID23651130
Molecular FormulaC26H35FN6O
Molecular Weight466.61 g/mol
Exact Mass466.29
IUPAC Name1'-[1-(3-ethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCCc1nccnc1N1CCC(N2CCC3(CC2)CN(C(=O)N(C)C)c2ccc(F)cc23)CC1
InChIInChI=1S/C26H35FN6O/c1-4-22-24(29-12-11-28-22)32-13-7-20(8-14-32)31-15-9-26(10-16-31)18-33(25(34)30(2)3)23-6-5-19(27)17-21(23)26/h5-6,11-12,17,20H,4,7-10,13-16,18H2,1-3H3
InChIKeyHSIZGPQSSMUDPW-UHFFFAOYSA-N
XLogP3.68
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-[1-(3-ethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 1'-[1-(3-ethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 23651130) is 1'-[1-(3-ethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 1'-[1-(3-ethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 1'-[1-(3-ethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide is CCc1nccnc1N1CCC(N2CCC3(CC2)CN(C(=O)N(C)C)c2ccc(F)cc23)CC1.
What is the InChIKey of 1'-[1-(3-ethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is HSIZGPQSSMUDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN6O/c1-4-22-24(29-12-11-28-22)32-13-7-20(8-14-32)31-15-9-26(10-16-31)18-33(25(34)30(2)3)23-6-5-19(27)17-21(23)26/h5-6,11-12,17,20H,4,7-10,13-16,18H2,1-3H3.
What are the key properties of 1'-[1-(3-ethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
1'-[1-(3-ethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 466.61 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-(3-ethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 23651130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).