2-[3-[[(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]methyl]indol-1-yl]acetamide

C22H24FN3O2 — CID 133121113

IUPAC2-[3-[[(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]methyl]indol-1-yl]acetamide
SMILESNC(=O)Cn1cc(CN2CC[C@H](c3ccc(F)cc3)[C@@H](O)C2)c2ccccc21
InChIInChI=1S/C22H24FN3O2/c23-17-7-5-15(6-8-17)19-9-10-25(13-21(19)27)11-16-12-26(14-22(24)28)20-4-2-1-3-18(16)20/h1-8,12,19,21,27H,9-11,13-14H2,(H2,24,28)/t19-,21+/m1/s1
InChIKeyWIRXDKLWQYJSQE-CTNGQTDRSA-N
MW381.45 g/mol
LogP2.62
Rot. Bonds5

About 2-[3-[[(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]methyl]indol-1-yl]acetamide

2-[3-[[(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]methyl]indol-1-yl]acetamide (PubChem CID 133121113) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 2-[3-[[(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]methyl]indol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[[(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]methyl]indol-1-yl]acetamide
PubChem CID133121113
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name2-[3-[[(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]methyl]indol-1-yl]acetamide
SMILESNC(=O)Cn1cc(CN2CC[C@H](c3ccc(F)cc3)[C@@H](O)C2)c2ccccc21
InChIInChI=1S/C22H24FN3O2/c23-17-7-5-15(6-8-17)19-9-10-25(13-21(19)27)11-16-12-26(14-22(24)28)20-4-2-1-3-18(16)20/h1-8,12,19,21,27H,9-11,13-14H2,(H2,24,28)/t19-,21+/m1/s1
InChIKeyWIRXDKLWQYJSQE-CTNGQTDRSA-N
XLogP2.62
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[(3S)-3-propoxypiperidin-1-yl]methyl]indol-1-yl]acetamide
CID 51500199
2-[3-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]indol-1-yl]acetamide
CID 28697267
(3S,4S)-4-(4-fluorophenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-ol
CID 50984812
2-[3-[[(3S)-3-(3-propan-2-yloxybenzoyl)piperidin-1-yl]methyl]indol-1-yl]acetamide
CID 42194573
2-[3-[[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methyl]indol-1-yl]acetamide
CID 46967219
2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409295
2-[3-[[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]methyl]indol-1-yl]acetamide
CID 95220646
(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62068055
2-[3-[[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]indol-1-yl]acetamide
CID 46967190
acetic acid;2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetic acid
CID 46736509
1-[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975700

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]methyl]indol-1-yl]acetamide?
The IUPAC name of 2-[3-[[(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]methyl]indol-1-yl]acetamide (CID 133121113) is 2-[3-[[(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]methyl]indol-1-yl]acetamide.
What is the SMILES notation for 2-[3-[[(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]methyl]indol-1-yl]acetamide?
The canonical SMILES for 2-[3-[[(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]methyl]indol-1-yl]acetamide is NC(=O)Cn1cc(CN2CC[C@H](c3ccc(F)cc3)[C@@H](O)C2)c2ccccc21.
What is the InChIKey of 2-[3-[[(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]methyl]indol-1-yl]acetamide?
The InChIKey is WIRXDKLWQYJSQE-CTNGQTDRSA-N. The full InChI is InChI=1S/C22H24FN3O2/c23-17-7-5-15(6-8-17)19-9-10-25(13-21(19)27)11-16-12-26(14-22(24)28)20-4-2-1-3-18(16)20/h1-8,12,19,21,27H,9-11,13-14H2,(H2,24,28)/t19-,21+/m1/s1.
What are the key properties of 2-[3-[[(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]methyl]indol-1-yl]acetamide?
2-[3-[[(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]methyl]indol-1-yl]acetamide has a molecular weight of 381.45 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]methyl]indol-1-yl]acetamide is sourced from PubChem (CID 133121113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).