(1S)-2-acetyl-7-fluoro-N-(2-fluorophenyl)-1-(hydroxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide

C26H35F2N3O3 — CID 162278222

IUPAC(1S)-2-acetyl-7-fluoro-N-(2-fluorophenyl)-1-(hydroxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
SMILESCC(=O)N1CC2(CCN(C(=O)Nc3ccccc3F)CC2)C2C3CCC(F)CC3CC2[C@H]1CO
InChIInChI=1S/C26H35F2N3O3/c1-16(33)31-15-26(24-19-7-6-18(27)12-17(19)13-20(24)23(31)14-32)8-10-30(11-9-26)25(34)29-22-5-3-2-4-21(22)28/h2-5,17-20,23-24,32H,6-15H2,1H3,(H,29,34)/t17?,18?,19?,20?,23-,24?/m1/s1
InChIKeyPDOBFHTVRFEYHK-IPOKZZJQSA-N
MW475.58 g/mol
LogP4.05
Rot. Bonds2

About (1S)-2-acetyl-7-fluoro-N-(2-fluorophenyl)-1-(hydroxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide

(1S)-2-acetyl-7-fluoro-N-(2-fluorophenyl)-1-(hydroxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide (PubChem CID 162278222) has the molecular formula C26H35F2N3O3 and a molecular weight of 475.58 g/mol. Its IUPAC name is (1S)-2-acetyl-7-fluoro-N-(2-fluorophenyl)-1-(hydroxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name(1S)-2-acetyl-7-fluoro-N-(2-fluorophenyl)-1-(hydroxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
PubChem CID162278222
Molecular FormulaC26H35F2N3O3
Molecular Weight475.58 g/mol
Exact Mass475.26
IUPAC Name(1S)-2-acetyl-7-fluoro-N-(2-fluorophenyl)-1-(hydroxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
SMILESCC(=O)N1CC2(CCN(C(=O)Nc3ccccc3F)CC2)C2C3CCC(F)CC3CC2[C@H]1CO
InChIInChI=1S/C26H35F2N3O3/c1-16(33)31-15-26(24-19-7-6-18(27)12-17(19)13-20(24)23(31)14-32)8-10-30(11-9-26)25(34)29-22-5-3-2-4-21(22)28/h2-5,17-20,23-24,32H,6-15H2,1H3,(H,29,34)/t17?,18?,19?,20?,23-,24?/m1/s1
InChIKeyPDOBFHTVRFEYHK-IPOKZZJQSA-N
XLogP4.05
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.58
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S)-2-acetyl-7-fluoro-N-(2-fluorophenyl)-1-(hydroxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide with MolForge

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Related Compounds

2-acetyl-N-(2-fluorophenyl)-7-methoxy-1,1-dimethylspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydroindeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
CID 144769506
(1R)-2-acetyl-N-(2-fluorophenyl)-7-methoxy-1-(methylaminomethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
CID 146899592
(1R)-2-acetyl-N-(2-fluorophenyl)-7-methoxy-1-(2-methoxyethoxymethoxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
CID 146899636
(1R)-2-acetyl-N-(2-fluorophenyl)-7-methoxy-1-(methoxymethoxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
CID 146899637
(2R)-N-(2-fluorophenyl)-14-methoxy-6-oxospiro[4-oxa-7-azatetracyclo[8.7.0.02,7.011,16]heptadecane-9,4'-piperidine]-1'-carboxamide
CID 146899672
(1S)-2-acetyl-N-(2-fluorophenyl)-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
CID 146899674
(1S)-2-acetyl-N-(2-fluorophenyl)-1-(2-hydroxyethyl)-7-methoxyspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
CID 146899675
(1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(2-phenylacetyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
CID 146899677
(1R)-N-(4-fluorophenyl)-1'-(3-fluorophenyl)sulfonyl-1-(hydroxymethyl)-7-methoxyspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-2-carboxamide
CID 146899678
(1R)-1'-(benzenesulfonyl)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxyspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-2-carboxamide
CID 146899679
(1R)-2-acetyl-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-N-methylspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
CID 146899681
(1R)-2-acetyl-N-(2,5-difluorophenyl)-1-(hydroxymethyl)-7-methoxyspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
CID 146899682

Frequently Asked Questions

What is the IUPAC name of (1S)-2-acetyl-7-fluoro-N-(2-fluorophenyl)-1-(hydroxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide?
The IUPAC name of (1S)-2-acetyl-7-fluoro-N-(2-fluorophenyl)-1-(hydroxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide (CID 162278222) is (1S)-2-acetyl-7-fluoro-N-(2-fluorophenyl)-1-(hydroxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for (1S)-2-acetyl-7-fluoro-N-(2-fluorophenyl)-1-(hydroxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide?
The canonical SMILES for (1S)-2-acetyl-7-fluoro-N-(2-fluorophenyl)-1-(hydroxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide is CC(=O)N1CC2(CCN(C(=O)Nc3ccccc3F)CC2)C2C3CCC(F)CC3CC2[C@H]1CO.
What is the InChIKey of (1S)-2-acetyl-7-fluoro-N-(2-fluorophenyl)-1-(hydroxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide?
The InChIKey is PDOBFHTVRFEYHK-IPOKZZJQSA-N. The full InChI is InChI=1S/C26H35F2N3O3/c1-16(33)31-15-26(24-19-7-6-18(27)12-17(19)13-20(24)23(31)14-32)8-10-30(11-9-26)25(34)29-22-5-3-2-4-21(22)28/h2-5,17-20,23-24,32H,6-15H2,1H3,(H,29,34)/t17?,18?,19?,20?,23-,24?/m1/s1.
What are the key properties of (1S)-2-acetyl-7-fluoro-N-(2-fluorophenyl)-1-(hydroxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide?
(1S)-2-acetyl-7-fluoro-N-(2-fluorophenyl)-1-(hydroxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide has a molecular weight of 475.58 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-acetyl-7-fluoro-N-(2-fluorophenyl)-1-(hydroxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 162278222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).