2-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide

C20H27N3O2 — CID 95324295

IUPAC2-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide
SMILESO=C(CN1CCCC[C@H]1c1cc2ccccc2[nH]1)NC1CCOCC1
InChIInChI=1S/C20H27N3O2/c24-20(21-16-8-11-25-12-9-16)14-23-10-4-3-7-19(23)18-13-15-5-1-2-6-17(15)22-18/h1-2,5-6,13,16,19,22H,3-4,7-12,14H2,(H,21,24)/t19-/m0/s1
InChIKeyAAROQEXENLEFND-IBGZPJMESA-N
MW341.46 g/mol
LogP2.99
Rot. Bonds4

About 2-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide

2-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide (PubChem CID 95324295) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide
PubChem CID95324295
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide
SMILESO=C(CN1CCCC[C@H]1c1cc2ccccc2[nH]1)NC1CCOCC1
InChIInChI=1S/C20H27N3O2/c24-20(21-16-8-11-25-12-9-16)14-23-10-4-3-7-19(23)18-13-15-5-1-2-6-17(15)22-18/h1-2,5-6,13,16,19,22H,3-4,7-12,14H2,(H,21,24)/t19-/m0/s1
InChIKeyAAROQEXENLEFND-IBGZPJMESA-N
XLogP2.99
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 113089008
3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid
CID 124704455
2-[2-(1H-indol-2-yl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
CID 155961802
N-(4-hydroxycyclohexyl)-2-(1H-indol-2-yl)piperidine-1-carboxamide
CID 111109545
3-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 95322772
N-(oxan-4-yl)-2-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide
CID 75474704
[3-[[2-(1H-indol-2-yl)piperidin-1-yl]methyl]oxetan-3-yl]methanol
CID 111976743
N-(oxan-4-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
CID 128983427
2-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 129323248
2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 129323249
N,1-dimethyl-5-[1-[2-(oxan-4-ylamino)-2-oxoethyl]piperidin-2-yl]pyrrole-2-carboxamide
CID 129002539
2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]-1H-indole;hydrochloride
CID 119931465

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide (CID 95324295) is 2-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide is O=C(CN1CCCC[C@H]1c1cc2ccccc2[nH]1)NC1CCOCC1.
What is the InChIKey of 2-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is AAROQEXENLEFND-IBGZPJMESA-N. The full InChI is InChI=1S/C20H27N3O2/c24-20(21-16-8-11-25-12-9-16)14-23-10-4-3-7-19(23)18-13-15-5-1-2-6-17(15)22-18/h1-2,5-6,13,16,19,22H,3-4,7-12,14H2,(H,21,24)/t19-/m0/s1.
What are the key properties of 2-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide?
2-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 341.46 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 95324295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).