2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide

C25H31FN4O — CID 134329613

IUPAC2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(c2ccc3[nH]c(-c4cc(C)ncc4F)c(C(C)C)c3c2)CC1
InChIInChI=1S/C25H31FN4O/c1-15(2)24-20-12-18(17-7-9-30(10-8-17)14-23(31)27-4)5-6-22(20)29-25(24)19-11-16(3)28-13-21(19)26/h5-6,11-13,15,17,29H,7-10,14H2,1-4H3,(H,27,31)
InChIKeyHOXUSDVZHNCSHR-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.73
Rot. Bonds5

About 2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide

2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide (PubChem CID 134329613) has the molecular formula C25H31FN4O and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
PubChem CID134329613
Molecular FormulaC25H31FN4O
Molecular Weight422.55 g/mol
Exact Mass422.25
IUPAC Name2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(c2ccc3[nH]c(-c4cc(C)ncc4F)c(C(C)C)c3c2)CC1
InChIInChI=1S/C25H31FN4O/c1-15(2)24-20-12-18(17-7-9-30(10-8-17)14-23(31)27-4)5-6-22(20)29-25(24)19-11-16(3)28-13-21(19)26/h5-6,11-13,15,17,29H,7-10,14H2,1-4H3,(H,27,31)
InChIKeyHOXUSDVZHNCSHR-UHFFFAOYSA-N
XLogP4.73
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-Acetyltryptamine
CID 70547
Fce 23884
CID 65898
N-(2-(1H-Indol-3-Yl)Ethyl)Propanamide
CID 216303
Gevotroline
CID 60547
Alx-0646
CID 9860595
Phenylglycine-01
CID 4695397
Cyclo-(L-Trp-L-Trp)
CID 7091706
(S)-1-(2-aza-bicyclo[2.2.2]octan-2-yl)-2-(2-(3,5-dimethylphenyl)-3-(1-(2-(pyridin-4-yl)ethylamino)propan-2-yl)-1H-indol-5-yl)-2-methylpropan-1-one
CID 10231401
2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperidin-4-yl)-1H-indole
CID 134329228
(3R)-5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1-methyl-3H-1,4-benzodiazepin-2-one
CID 656755
N-(2-(5-fluoro-1H-indol-3-yl)ethyl)acetamide
CID 699127
3-((4-benzylpiperazino)methyl)-1H-indole
CID 563075

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide (CID 134329613) is 2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(c2ccc3[nH]c(-c4cc(C)ncc4F)c(C(C)C)c3c2)CC1.
What is the InChIKey of 2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide?
The InChIKey is HOXUSDVZHNCSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O/c1-15(2)24-20-12-18(17-7-9-30(10-8-17)14-23(31)27-4)5-6-22(20)29-25(24)19-11-16(3)28-13-21(19)26/h5-6,11-13,15,17,29H,7-10,14H2,1-4H3,(H,27,31).
What are the key properties of 2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide?
2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide has a molecular weight of 422.55 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 134329613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).