1-[(2R)-2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone

C20H25N3O2 — CID 95590201

IUPAC1-[(2R)-2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H25N3O2/c1-14(24)23-10-4-7-19(23)20(25)22-11-8-15(9-12-22)18-13-16-5-2-3-6-17(16)21-18/h2-3,5-6,13,15,19,21H,4,7-12H2,1H3/t19-/m1/s1
InChIKeyXXLFSGRNYZXNTQ-LJQANCHMSA-N
MW339.44 g/mol
LogP2.88
Rot. Bonds2

About 1-[(2R)-2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone

1-[(2R)-2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone (PubChem CID 95590201) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[(2R)-2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
PubChem CID95590201
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[(2R)-2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H25N3O2/c1-14(24)23-10-4-7-19(23)20(25)22-11-8-15(9-12-22)18-13-16-5-2-3-6-17(16)21-18/h2-3,5-6,13,15,19,21H,4,7-12H2,1H3/t19-/m1/s1
InChIKeyXXLFSGRNYZXNTQ-LJQANCHMSA-N
XLogP2.88
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-difluorophenyl)-[3-(1H-indol-2-yl)pyrrolidin-1-yl]methanone
CID 113088344
(4-fluorophenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087831
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 113088297
1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 113088531
furan-2-yl-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087824
(2-hydroxy-4-methylphenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 139011392
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 113088321
3-[2-oxo-2-[(2S)-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-quinolin-2-one
CID 166270647
1-[3-(1H-indol-2-yl)piperidin-1-yl]butan-1-one
CID 113088532
2-(2-fluorophenyl)-1-[4-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113087860
1-[4-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 71883526
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 113088338

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone (CID 95590201) is 1-[(2R)-2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@@H]1C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of 1-[(2R)-2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The InChIKey is XXLFSGRNYZXNTQ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14(24)23-10-4-7-19(23)20(25)22-11-8-15(9-12-22)18-13-16-5-2-3-6-17(16)21-18/h2-3,5-6,13,15,19,21H,4,7-12H2,1H3/t19-/m1/s1.
What are the key properties of 1-[(2R)-2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
1-[(2R)-2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone has a molecular weight of 339.44 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95590201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).