2-indol-1-yl-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone

C20H27N3O2 — CID 97143198

IUPAC2-indol-1-yl-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCCC[C@H]1CN1CCOCC1
InChIInChI=1S/C20H27N3O2/c24-20(16-22-10-8-17-5-1-2-7-19(17)22)23-9-4-3-6-18(23)15-21-11-13-25-14-12-21/h1-2,5,7-8,10,18H,3-4,6,9,11-16H2/t18-/m0/s1
InChIKeySNJXINBESPYRDE-SFHVURJKSA-N
MW341.45 g/mol
LogP2.35
Rot. Bonds4

About 2-indol-1-yl-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone

2-indol-1-yl-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 97143198) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-indol-1-yl-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-indol-1-yl-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
PubChem CID97143198
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name2-indol-1-yl-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCCC[C@H]1CN1CCOCC1
InChIInChI=1S/C20H27N3O2/c24-20(16-22-10-8-17-5-1-2-7-19(17)22)23-9-4-3-6-18(23)15-21-11-13-25-14-12-21/h1-2,5,7-8,10,18H,3-4,6,9,11-16H2/t18-/m0/s1
InChIKeySNJXINBESPYRDE-SFHVURJKSA-N
XLogP2.35
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 70771844
2-(2-chlorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 136524926
2-indol-1-yl-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 95350831
2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 87040579
2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
1-[2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 95621430
1-cyclopentyl-2-indol-1-ylethanone
CID 104751207
2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid
CID 91568400
2-(4-methylsulfanylphenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 70755072
(2-methylsulfanylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 70768311
[2-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 70717304
2-(5-methoxyindol-1-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95323554

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-indol-1-yl-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone (CID 97143198) is 2-indol-1-yl-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-indol-1-yl-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-indol-1-yl-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone is O=C(Cn1ccc2ccccc21)N1CCCC[C@H]1CN1CCOCC1.
What is the InChIKey of 2-indol-1-yl-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is SNJXINBESPYRDE-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-20(16-22-10-8-17-5-1-2-7-19(17)22)23-9-4-3-6-18(23)15-21-11-13-25-14-12-21/h1-2,5,7-8,10,18H,3-4,6,9,11-16H2/t18-/m0/s1.
What are the key properties of 2-indol-1-yl-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
2-indol-1-yl-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 341.45 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 97143198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).