1-[5-fluoro-1'-[4-(piperidine-1-carbonyl)cyclohexyl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone

C26H36FN3O2 — CID 59433818

IUPAC1-[5-fluoro-1'-[4-(piperidine-1-carbonyl)cyclohexyl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone
SMILESCC(=O)N1CC2(CCN(C3CCC(C(=O)N4CCCCC4)CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C26H36FN3O2/c1-19(31)30-18-26(23-17-21(27)7-10-24(23)30)11-15-28(16-12-26)22-8-5-20(6-9-22)25(32)29-13-3-2-4-14-29/h7,10,17,20,22H,2-6,8-9,11-16,18H2,1H3
InChIKeyWFDAPTNCCIXHHI-UHFFFAOYSA-N
MW441.59 g/mol
LogP4.10
Rot. Bonds2

About 1-[5-fluoro-1'-[4-(piperidine-1-carbonyl)cyclohexyl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone

1-[5-fluoro-1'-[4-(piperidine-1-carbonyl)cyclohexyl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone (PubChem CID 59433818) has the molecular formula C26H36FN3O2 and a molecular weight of 441.59 g/mol. Its IUPAC name is 1-[5-fluoro-1'-[4-(piperidine-1-carbonyl)cyclohexyl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-1'-[4-(piperidine-1-carbonyl)cyclohexyl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone
PubChem CID59433818
Molecular FormulaC26H36FN3O2
Molecular Weight441.59 g/mol
Exact Mass441.28
IUPAC Name1-[5-fluoro-1'-[4-(piperidine-1-carbonyl)cyclohexyl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone
SMILESCC(=O)N1CC2(CCN(C3CCC(C(=O)N4CCCCC4)CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C26H36FN3O2/c1-19(31)30-18-26(23-17-21(27)7-10-24(23)30)11-15-28(16-12-26)22-8-5-20(6-9-22)25(32)29-13-3-2-4-14-29/h7,10,17,20,22H,2-6,8-9,11-16,18H2,1H3
InChIKeyWFDAPTNCCIXHHI-UHFFFAOYSA-N
XLogP4.10
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.59
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[5-fluoro-1'-[4-(piperidine-1-carbonyl)cyclohexyl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone with MolForge

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Related Compounds

methyl 4-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)azepane-1-carboxylate
CID 59433877
1'-cyclopropyl-5-fluoro-N-propylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23994922
1'-cyclopropyl-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23959515
propan-2-yl 6-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate
CID 70959422
cyclobutyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 59433761
(1'-cyclopropyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-(furan-2-yl)methanone
CID 23764734
5-fluorospiro[2H-indole-3,4'-piperidine]-1,1'-dicarboxylic acid
CID 149159822
propan-2-yl 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-6-azabicyclo[3.2.2]nonane-6-carboxylate
CID 70657741
1-[5-fluoro-1'-(oxan-3-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone
CID 11508484
1-[1'-(2-bicyclo[2.2.2]octanylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]ethanone
CID 59433070
5-fluoro-N,N-dimethyl-1'-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 59433277
5-fluoro-1'-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 59433414

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-1'-[4-(piperidine-1-carbonyl)cyclohexyl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone?
The IUPAC name of 1-[5-fluoro-1'-[4-(piperidine-1-carbonyl)cyclohexyl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone (CID 59433818) is 1-[5-fluoro-1'-[4-(piperidine-1-carbonyl)cyclohexyl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone.
What is the SMILES notation for 1-[5-fluoro-1'-[4-(piperidine-1-carbonyl)cyclohexyl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone?
The canonical SMILES for 1-[5-fluoro-1'-[4-(piperidine-1-carbonyl)cyclohexyl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone is CC(=O)N1CC2(CCN(C3CCC(C(=O)N4CCCCC4)CC3)CC2)c2cc(F)ccc21.
What is the InChIKey of 1-[5-fluoro-1'-[4-(piperidine-1-carbonyl)cyclohexyl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone?
The InChIKey is WFDAPTNCCIXHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36FN3O2/c1-19(31)30-18-26(23-17-21(27)7-10-24(23)30)11-15-28(16-12-26)22-8-5-20(6-9-22)25(32)29-13-3-2-4-14-29/h7,10,17,20,22H,2-6,8-9,11-16,18H2,1H3.
What are the key properties of 1-[5-fluoro-1'-[4-(piperidine-1-carbonyl)cyclohexyl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone?
1-[5-fluoro-1'-[4-(piperidine-1-carbonyl)cyclohexyl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone has a molecular weight of 441.59 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-1'-[4-(piperidine-1-carbonyl)cyclohexyl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone is sourced from PubChem (CID 59433818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).