[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(5-fluoro-1H-indol-2-yl)methanone

C18H24FN3O2 — CID 56886344

IUPAC[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
SMILESCN(C)CC1(O)CCCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1
InChIInChI=1S/C18H24FN3O2/c1-21(2)12-18(24)6-3-8-22(9-7-18)17(23)16-11-13-10-14(19)4-5-15(13)20-16/h4-5,10-11,20,24H,3,6-9,12H2,1-2H3
InChIKeyPAMDCDIIYHFVJZ-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.23
Rot. Bonds3

About [4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(5-fluoro-1H-indol-2-yl)methanone

[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(5-fluoro-1H-indol-2-yl)methanone (PubChem CID 56886344) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(5-fluoro-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
PubChem CID56886344
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
SMILESCN(C)CC1(O)CCCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1
InChIInChI=1S/C18H24FN3O2/c1-21(2)12-18(24)6-3-8-22(9-7-18)17(23)16-11-13-10-14(19)4-5-15(13)20-16/h4-5,10-11,20,24H,3,6-9,12H2,1-2H3
InChIKeyPAMDCDIIYHFVJZ-UHFFFAOYSA-N
XLogP2.23
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
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[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 42190289
[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(5-fluoro-1H-indol-2-yl)methanone
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[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 138000726
(5-fluoro-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
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1-[(4S)-4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-2-(3-fluorophenoxy)ethanone
CID 95723952
1-(5-fluoro-1H-indole-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
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4-(5-fluoro-1H-indole-2-carbonyl)-N,N,1-trimethylpiperazine-2-carboxamide
CID 110086127
[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 95718598
N-[1-[[(4S)-4-hydroxy-1-(1H-indole-2-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 125008294
(2,2-difluoro-1,3-benzodioxol-5-yl)-[4-(5-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(5-fluoro-1H-indol-2-yl)methanone?
The IUPAC name of [4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(5-fluoro-1H-indol-2-yl)methanone (CID 56886344) is [4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(5-fluoro-1H-indol-2-yl)methanone.
What is the SMILES notation for [4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(5-fluoro-1H-indol-2-yl)methanone?
The canonical SMILES for [4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(5-fluoro-1H-indol-2-yl)methanone is CN(C)CC1(O)CCCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1.
What is the InChIKey of [4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(5-fluoro-1H-indol-2-yl)methanone?
The InChIKey is PAMDCDIIYHFVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-21(2)12-18(24)6-3-8-22(9-7-18)17(23)16-11-13-10-14(19)4-5-15(13)20-16/h4-5,10-11,20,24H,3,6-9,12H2,1-2H3.
What are the key properties of [4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(5-fluoro-1H-indol-2-yl)methanone?
[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(5-fluoro-1H-indol-2-yl)methanone has a molecular weight of 333.41 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(5-fluoro-1H-indol-2-yl)methanone is sourced from PubChem (CID 56886344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).