(7-fluoro-4-methoxy-1H-indol-2-yl)-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]methanone

C17H21FN2O4 — CID 139007473

IUPAC(7-fluoro-4-methoxy-1H-indol-2-yl)-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1(O)CCN(C(=O)c2cc3c(OC)ccc(F)c3[nH]2)CC1
InChIInChI=1S/C17H21FN2O4/c1-23-10-17(22)5-7-20(8-6-17)16(21)13-9-11-14(24-2)4-3-12(18)15(11)19-13/h3-4,9,19,22H,5-8,10H2,1-2H3
InChIKeyQYAVFNRDBNUKRK-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.93
Rot. Bonds4

About (7-fluoro-4-methoxy-1H-indol-2-yl)-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]methanone

(7-fluoro-4-methoxy-1H-indol-2-yl)-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 139007473) has the molecular formula C17H21FN2O4 and a molecular weight of 336.36 g/mol. Its IUPAC name is (7-fluoro-4-methoxy-1H-indol-2-yl)-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(7-fluoro-4-methoxy-1H-indol-2-yl)-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID139007473
Molecular FormulaC17H21FN2O4
Molecular Weight336.36 g/mol
Exact Mass336.15
IUPAC Name(7-fluoro-4-methoxy-1H-indol-2-yl)-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1(O)CCN(C(=O)c2cc3c(OC)ccc(F)c3[nH]2)CC1
InChIInChI=1S/C17H21FN2O4/c1-23-10-17(22)5-7-20(8-6-17)16(21)13-9-11-14(24-2)4-3-12(18)15(11)19-13/h3-4,9,19,22H,5-8,10H2,1-2H3
InChIKeyQYAVFNRDBNUKRK-UHFFFAOYSA-N
XLogP1.93
TPSA74.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(7-fluoro-4-methoxy-1H-indol-2-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 136538978
2-azaspiro[4.5]decan-2-yl-(7-chloro-4-methoxy-1H-indol-2-yl)methanone
CID 167229545
[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone
CID 92565758
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-(4,6,7-trimethoxy-1H-indol-2-yl)methanone
CID 87042277
(4,7-dimethoxy-1H-indol-2-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 163340317
(4-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 71851779
7-fluoro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide
CID 166221366
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4,5,6-trimethoxy-1H-indol-2-yl)methanone
CID 4893817
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51212932
1-(3-fluoro-2,6-dimethoxyphenyl)propan-1-one
CID 14850156
[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-(2-pyrrol-1-ylphenyl)methanone
CID 138026772
[(3R,4R)-3,4-diaminopyrrolidin-1-yl]-(7-fluoro-4-methyl-1H-indol-2-yl)methanone
CID 166251917

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-4-methoxy-1H-indol-2-yl)-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (7-fluoro-4-methoxy-1H-indol-2-yl)-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]methanone (CID 139007473) is (7-fluoro-4-methoxy-1H-indol-2-yl)-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (7-fluoro-4-methoxy-1H-indol-2-yl)-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (7-fluoro-4-methoxy-1H-indol-2-yl)-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]methanone is COCC1(O)CCN(C(=O)c2cc3c(OC)ccc(F)c3[nH]2)CC1.
What is the InChIKey of (7-fluoro-4-methoxy-1H-indol-2-yl)-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is QYAVFNRDBNUKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4/c1-23-10-17(22)5-7-20(8-6-17)16(21)13-9-11-14(24-2)4-3-12(18)15(11)19-13/h3-4,9,19,22H,5-8,10H2,1-2H3.
What are the key properties of (7-fluoro-4-methoxy-1H-indol-2-yl)-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]methanone?
(7-fluoro-4-methoxy-1H-indol-2-yl)-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 336.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-4-methoxy-1H-indol-2-yl)-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 139007473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).