1-(4,4-difluoropiperidin-1-yl)-2-(2-methylspiro[1H-isoindole-3,4'-piperidine]-1'-yl)ethanone

C20H27F2N3O — CID 121359718

IUPAC1-(4,4-difluoropiperidin-1-yl)-2-(2-methylspiro[1H-isoindole-3,4'-piperidine]-1'-yl)ethanone
SMILESCN1Cc2ccccc2C12CCN(CC(=O)N1CCC(F)(F)CC1)CC2
InChIInChI=1S/C20H27F2N3O/c1-23-14-16-4-2-3-5-17(16)19(23)6-10-24(11-7-19)15-18(26)25-12-8-20(21,22)9-13-25/h2-5H,6-15H2,1H3
InChIKeyZTCLNWJUIQMFQT-UHFFFAOYSA-N
MW363.45 g/mol
LogP2.68
Rot. Bonds2

About 1-(4,4-difluoropiperidin-1-yl)-2-(2-methylspiro[1H-isoindole-3,4'-piperidine]-1'-yl)ethanone

1-(4,4-difluoropiperidin-1-yl)-2-(2-methylspiro[1H-isoindole-3,4'-piperidine]-1'-yl)ethanone (PubChem CID 121359718) has the molecular formula C20H27F2N3O and a molecular weight of 363.45 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)-2-(2-methylspiro[1H-isoindole-3,4'-piperidine]-1'-yl)ethanone.

Molecular Properties

Compound Name1-(4,4-difluoropiperidin-1-yl)-2-(2-methylspiro[1H-isoindole-3,4'-piperidine]-1'-yl)ethanone
PubChem CID121359718
Molecular FormulaC20H27F2N3O
Molecular Weight363.45 g/mol
Exact Mass363.21
IUPAC Name1-(4,4-difluoropiperidin-1-yl)-2-(2-methylspiro[1H-isoindole-3,4'-piperidine]-1'-yl)ethanone
SMILESCN1Cc2ccccc2C12CCN(CC(=O)N1CCC(F)(F)CC1)CC2
InChIInChI=1S/C20H27F2N3O/c1-23-14-16-4-2-3-5-17(16)19(23)6-10-24(11-7-19)15-18(26)25-12-8-20(21,22)9-13-25/h2-5H,6-15H2,1H3
InChIKeyZTCLNWJUIQMFQT-UHFFFAOYSA-N
XLogP2.68
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4,4-difluoropiperidin-1-yl)-2-(2-methylspiro[1H-isoindole-3,4'-piperidine]-1'-yl)ethanone with MolForge

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Related Compounds

9-[2-(azocan-1-yl)acetyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56738774
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 71892135
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103728470
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 1439137
2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 30957291
1'-(cyclohexylmethyl)-2-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]
CID 121359802
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995427
ethyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]piperazine-1-carboxylate
CID 109000030
2-(1,4-diazepan-1-yl)-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 62833648
1-methyl-3-phenyl-8-(2-pyrrolidin-1-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 72851229
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95610855
1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-(2-methylspiro[1H-isoindole-3,4'-piperidine]-1'-yl)ethanone?
The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-(2-methylspiro[1H-isoindole-3,4'-piperidine]-1'-yl)ethanone (CID 121359718) is 1-(4,4-difluoropiperidin-1-yl)-2-(2-methylspiro[1H-isoindole-3,4'-piperidine]-1'-yl)ethanone.
What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)-2-(2-methylspiro[1H-isoindole-3,4'-piperidine]-1'-yl)ethanone?
The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)-2-(2-methylspiro[1H-isoindole-3,4'-piperidine]-1'-yl)ethanone is CN1Cc2ccccc2C12CCN(CC(=O)N1CCC(F)(F)CC1)CC2.
What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)-2-(2-methylspiro[1H-isoindole-3,4'-piperidine]-1'-yl)ethanone?
The InChIKey is ZTCLNWJUIQMFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N3O/c1-23-14-16-4-2-3-5-17(16)19(23)6-10-24(11-7-19)15-18(26)25-12-8-20(21,22)9-13-25/h2-5H,6-15H2,1H3.
What are the key properties of 1-(4,4-difluoropiperidin-1-yl)-2-(2-methylspiro[1H-isoindole-3,4'-piperidine]-1'-yl)ethanone?
1-(4,4-difluoropiperidin-1-yl)-2-(2-methylspiro[1H-isoindole-3,4'-piperidine]-1'-yl)ethanone has a molecular weight of 363.45 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropiperidin-1-yl)-2-(2-methylspiro[1H-isoindole-3,4'-piperidine]-1'-yl)ethanone is sourced from PubChem (CID 121359718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).