N-[[1-[(5-fluoro-1-methylindol-2-yl)methyl]piperidin-4-yl]methyl]acetamide

C18H24FN3O — CID 70729578

IUPACN-[[1-[(5-fluoro-1-methylindol-2-yl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(Cc2cc3cc(F)ccc3n2C)CC1
InChIInChI=1S/C18H24FN3O/c1-13(23)20-11-14-5-7-22(8-6-14)12-17-10-15-9-16(19)3-4-18(15)21(17)2/h3-4,9-10,14H,5-8,11-12H2,1-2H3,(H,20,23)
InChIKeyOZIWFLINJVSJRH-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.67
Rot. Bonds4

About N-[[1-[(5-fluoro-1-methylindol-2-yl)methyl]piperidin-4-yl]methyl]acetamide

N-[[1-[(5-fluoro-1-methylindol-2-yl)methyl]piperidin-4-yl]methyl]acetamide (PubChem CID 70729578) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[[1-[(5-fluoro-1-methylindol-2-yl)methyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[(5-fluoro-1-methylindol-2-yl)methyl]piperidin-4-yl]methyl]acetamide
PubChem CID70729578
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC NameN-[[1-[(5-fluoro-1-methylindol-2-yl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(Cc2cc3cc(F)ccc3n2C)CC1
InChIInChI=1S/C18H24FN3O/c1-13(23)20-11-14-5-7-22(8-6-14)12-17-10-15-9-16(19)3-4-18(15)21(17)2/h3-4,9-10,14H,5-8,11-12H2,1-2H3,(H,20,23)
InChIKeyOZIWFLINJVSJRH-UHFFFAOYSA-N
XLogP2.67
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[2-(1H-Indol-3-yl)ethyl]-N-methylacetamide
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N-pentanoyl-2-benzyltryptamine
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9-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
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CID 14595509

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-fluoro-1-methylindol-2-yl)methyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[(5-fluoro-1-methylindol-2-yl)methyl]piperidin-4-yl]methyl]acetamide (CID 70729578) is N-[[1-[(5-fluoro-1-methylindol-2-yl)methyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[(5-fluoro-1-methylindol-2-yl)methyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[(5-fluoro-1-methylindol-2-yl)methyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(Cc2cc3cc(F)ccc3n2C)CC1.
What is the InChIKey of N-[[1-[(5-fluoro-1-methylindol-2-yl)methyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is OZIWFLINJVSJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-13(23)20-11-14-5-7-22(8-6-14)12-17-10-15-9-16(19)3-4-18(15)21(17)2/h3-4,9-10,14H,5-8,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-[[1-[(5-fluoro-1-methylindol-2-yl)methyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[(5-fluoro-1-methylindol-2-yl)methyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 317.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-fluoro-1-methylindol-2-yl)methyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 70729578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).