1-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-3-indazol-1-ylpropan-1-one

C28H33FN4O2 — CID 129453393

IUPAC1-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-3-indazol-1-ylpropan-1-one
SMILESO=C(Cc1ccccc1F)N1CCC([C@@H]2CCCCN2C(=O)CCn2ncc3ccccc32)CC1
InChIInChI=1S/C28H33FN4O2/c29-24-9-3-1-7-22(24)19-28(35)31-16-12-21(13-17-31)25-10-5-6-15-32(25)27(34)14-18-33-26-11-4-2-8-23(26)20-30-33/h1-4,7-9,11,20-21,25H,5-6,10,12-19H2/t25-/m0/s1
InChIKeyALULMCPONNDLFH-VWLOTQADSA-N
MW476.60 g/mol
LogP4.43
Rot. Bonds6

About 1-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-3-indazol-1-ylpropan-1-one

1-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-3-indazol-1-ylpropan-1-one (PubChem CID 129453393) has the molecular formula C28H33FN4O2 and a molecular weight of 476.60 g/mol. Its IUPAC name is 1-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-3-indazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-3-indazol-1-ylpropan-1-one
PubChem CID129453393
Molecular FormulaC28H33FN4O2
Molecular Weight476.60 g/mol
Exact Mass476.26
IUPAC Name1-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-3-indazol-1-ylpropan-1-one
SMILESO=C(Cc1ccccc1F)N1CCC([C@@H]2CCCCN2C(=O)CCn2ncc3ccccc32)CC1
InChIInChI=1S/C28H33FN4O2/c29-24-9-3-1-7-22(24)19-28(35)31-16-12-21(13-17-31)25-10-5-6-15-32(25)27(34)14-18-33-26-11-4-2-8-23(26)20-30-33/h1-4,7-9,11,20-21,25H,5-6,10,12-19H2/t25-/m0/s1
InChIKeyALULMCPONNDLFH-VWLOTQADSA-N
XLogP4.43
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-3-indazol-1-ylpropan-1-one with MolForge

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Related Compounds

2-[3-(3-Fluorophenyl)indazol-1-yl]-1-piperidin-1-ylethanone
CID 56837421
1-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1H-indazole
CID 3239674
4-Fluoro-N-(1-(1-methylpiperidin-4-yl)-1H-indazol-6-yl)benzamide
CID 44395787
[4-[2-(2,4-Difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 57398388
1-[[2-Fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,4'-piperidine]-2-one
CID 71570630
N-(3-carbamoylphenyl)-4-(4-fluoroindazol-1-yl)piperidine-1-carboxamide
CID 89626932
(3R)-3-[6-(4-fluoro-1-methylindazol-6-yl)-2-oxopiperidin-3-yl]-3-methylpiperidin-2-one
CID 124201714
5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(1-methylindazol-5-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 127053923
US11807646, Example 15
CID 139375772
US11597728, Example 34
CID 146454980
US11597728, Example 281
CID 146480438
US11597728, Example 280
CID 146480806

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-3-indazol-1-ylpropan-1-one?
The IUPAC name of 1-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-3-indazol-1-ylpropan-1-one (CID 129453393) is 1-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-3-indazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-3-indazol-1-ylpropan-1-one?
The canonical SMILES for 1-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-3-indazol-1-ylpropan-1-one is O=C(Cc1ccccc1F)N1CCC([C@@H]2CCCCN2C(=O)CCn2ncc3ccccc32)CC1.
What is the InChIKey of 1-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-3-indazol-1-ylpropan-1-one?
The InChIKey is ALULMCPONNDLFH-VWLOTQADSA-N. The full InChI is InChI=1S/C28H33FN4O2/c29-24-9-3-1-7-22(24)19-28(35)31-16-12-21(13-17-31)25-10-5-6-15-32(25)27(34)14-18-33-26-11-4-2-8-23(26)20-30-33/h1-4,7-9,11,20-21,25H,5-6,10,12-19H2/t25-/m0/s1.
What are the key properties of 1-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-3-indazol-1-ylpropan-1-one?
1-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-3-indazol-1-ylpropan-1-one has a molecular weight of 476.60 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]piperidin-1-yl]-3-indazol-1-ylpropan-1-one is sourced from PubChem (CID 129453393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).