(5,6-difluoro-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone

C18H22F2N2O2 — CID 70848386

IUPAC(5,6-difluoro-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
SMILESCC(C)(O)CC1CCN(C(=O)c2cc3cc(F)c(F)cc3[nH]2)CC1
InChIInChI=1S/C18H22F2N2O2/c1-18(2,24)10-11-3-5-22(6-4-11)17(23)16-8-12-7-13(19)14(20)9-15(12)21-16/h7-9,11,21,24H,3-6,10H2,1-2H3
InChIKeyDMXCNHSPRWAQCJ-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.46
Rot. Bonds3

About (5,6-difluoro-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone

(5,6-difluoro-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone (PubChem CID 70848386) has the molecular formula C18H22F2N2O2 and a molecular weight of 336.38 g/mol. Its IUPAC name is (5,6-difluoro-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5,6-difluoro-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
PubChem CID70848386
Molecular FormulaC18H22F2N2O2
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC Name(5,6-difluoro-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
SMILESCC(C)(O)CC1CCN(C(=O)c2cc3cc(F)c(F)cc3[nH]2)CC1
InChIInChI=1S/C18H22F2N2O2/c1-18(2,24)10-11-3-5-22(6-4-11)17(23)16-8-12-7-13(19)14(20)9-15(12)21-16/h7-9,11,21,24H,3-6,10H2,1-2H3
InChIKeyDMXCNHSPRWAQCJ-UHFFFAOYSA-N
XLogP3.46
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-amino-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 59529905
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)methanone
CID 46909814
3-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 70848758
N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-5-yl]oxane-4-carboxamide
CID 70848277
(4,6-dimethoxy-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 70848115
tert-butyl 4-(5,6-difluoro-1H-indole-2-carbonyl)piperazine-1-carboxylate;piperazine-1-carboxylic acid
CID 146318846
1H-benzimidazol-2-yl-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 46909812
(3,5-dimethyl-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 25210768
[5-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]-phenylmethanone
CID 70848896
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methanone
CID 46910065
N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-7-yl]-4-methoxybenzenesulfonamide
CID 70848118
(5,6-difluoro-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
CID 142576493

Frequently Asked Questions

What is the IUPAC name of (5,6-difluoro-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone?
The IUPAC name of (5,6-difluoro-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone (CID 70848386) is (5,6-difluoro-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5,6-difluoro-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone?
The canonical SMILES for (5,6-difluoro-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone is CC(C)(O)CC1CCN(C(=O)c2cc3cc(F)c(F)cc3[nH]2)CC1.
What is the InChIKey of (5,6-difluoro-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone?
The InChIKey is DMXCNHSPRWAQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O2/c1-18(2,24)10-11-3-5-22(6-4-11)17(23)16-8-12-7-13(19)14(20)9-15(12)21-16/h7-9,11,21,24H,3-6,10H2,1-2H3.
What are the key properties of (5,6-difluoro-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone?
(5,6-difluoro-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone has a molecular weight of 336.38 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-difluoro-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70848386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).