5-fluoro-N,N-dimethyl-1'-(1-pyridin-3-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide

C25H32FN5O — CID 23651582

IUPAC5-fluoro-N,N-dimethyl-1'-(1-pyridin-3-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)N1CC2(CCN(C3CCN(c4cccnc4)CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C25H32FN5O/c1-28(2)24(32)31-18-25(22-16-19(26)5-6-23(22)31)9-14-30(15-10-25)20-7-12-29(13-8-20)21-4-3-11-27-17-21/h3-6,11,16-17,20H,7-10,12-15,18H2,1-2H3
InChIKeyCNIFBPULBRHNMZ-UHFFFAOYSA-N
MW437.56 g/mol
LogP3.72
Rot. Bonds2

About 5-fluoro-N,N-dimethyl-1'-(1-pyridin-3-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide

5-fluoro-N,N-dimethyl-1'-(1-pyridin-3-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 23651582) has the molecular formula C25H32FN5O and a molecular weight of 437.56 g/mol. Its IUPAC name is 5-fluoro-N,N-dimethyl-1'-(1-pyridin-3-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N,N-dimethyl-1'-(1-pyridin-3-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID23651582
Molecular FormulaC25H32FN5O
Molecular Weight437.56 g/mol
Exact Mass437.26
IUPAC Name5-fluoro-N,N-dimethyl-1'-(1-pyridin-3-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)N1CC2(CCN(C3CCN(c4cccnc4)CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C25H32FN5O/c1-28(2)24(32)31-18-25(22-16-19(26)5-6-23(22)31)9-14-30(15-10-25)20-7-12-29(13-8-20)21-4-3-11-27-17-21/h3-6,11,16-17,20H,7-10,12-15,18H2,1-2H3
InChIKeyCNIFBPULBRHNMZ-UHFFFAOYSA-N
XLogP3.72
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N-dimethyl-1'-(1-pyridin-3-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 5-fluoro-N,N-dimethyl-1'-(1-pyridin-3-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 23651582) is 5-fluoro-N,N-dimethyl-1'-(1-pyridin-3-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 5-fluoro-N,N-dimethyl-1'-(1-pyridin-3-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 5-fluoro-N,N-dimethyl-1'-(1-pyridin-3-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide is CN(C)C(=O)N1CC2(CCN(C3CCN(c4cccnc4)CC3)CC2)c2cc(F)ccc21.
What is the InChIKey of 5-fluoro-N,N-dimethyl-1'-(1-pyridin-3-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is CNIFBPULBRHNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN5O/c1-28(2)24(32)31-18-25(22-16-19(26)5-6-23(22)31)9-14-30(15-10-25)20-7-12-29(13-8-20)21-4-3-11-27-17-21/h3-6,11,16-17,20H,7-10,12-15,18H2,1-2H3.
What are the key properties of 5-fluoro-N,N-dimethyl-1'-(1-pyridin-3-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
5-fluoro-N,N-dimethyl-1'-(1-pyridin-3-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 437.56 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N-dimethyl-1'-(1-pyridin-3-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 23651582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).