2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide

C22H26N4O2 — CID 16668009

IUPAC2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(CN1CCC(O)(c2cccnc2)CC1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H26N4O2/c27-21(24-11-7-17-14-25-20-6-2-1-5-19(17)20)16-26-12-8-22(28,9-13-26)18-4-3-10-23-15-18/h1-6,10,14-15,25,28H,7-9,11-13,16H2,(H,24,27)
InChIKeyGPTWNJZHTHGQKY-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.21
Rot. Bonds6

About 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 16668009) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID16668009
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(CN1CCC(O)(c2cccnc2)CC1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H26N4O2/c27-21(24-11-7-17-14-25-20-6-2-1-5-19(17)20)16-26-12-8-22(28,9-13-26)18-4-3-10-23-15-18/h1-6,10,14-15,25,28H,7-9,11-13,16H2,(H,24,27)
InChIKeyGPTWNJZHTHGQKY-UHFFFAOYSA-N
XLogP2.21
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595951
N-[2-(1H-indol-3-yl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8620098
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 17413437
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26551169
N-[2-(1H-indol-3-yl)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide
CID 121064179
2-[(3S)-3-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 51924548
2-[4-(4-fluorophenoxy)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 46981333
N-[2-(1H-indol-3-yl)ethyl]-3-pyrazin-2-ylpropanamide
CID 28736534
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 71754941
2-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 41118362
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 4806902

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 16668009) is 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide is O=C(CN1CCC(O)(c2cccnc2)CC1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is GPTWNJZHTHGQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c27-21(24-11-7-17-14-25-20-6-2-1-5-19(17)20)16-26-12-8-22(28,9-13-26)18-4-3-10-23-15-18/h1-6,10,14-15,25,28H,7-9,11-13,16H2,(H,24,27).
What are the key properties of 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 378.48 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 16668009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).