(7-ethyl-1H-indol-3-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone

C20H27N3O2 — CID 96996651

IUPAC(7-ethyl-1H-indol-3-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
SMILESCCc1cccc2c(C(=O)N3CCN([C@H]4CCC[C@H]4O)CC3)c[nH]c12
InChIInChI=1S/C20H27N3O2/c1-2-14-5-3-6-15-16(13-21-19(14)15)20(25)23-11-9-22(10-12-23)17-7-4-8-18(17)24/h3,5-6,13,17-18,21,24H,2,4,7-12H2,1H3/t17-,18+/m0/s1
InChIKeyCKPWILXFXOZXAO-ZWKOTPCHSA-N
MW341.45 g/mol
LogP2.40
Rot. Bonds3

About (7-ethyl-1H-indol-3-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone

(7-ethyl-1H-indol-3-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone (PubChem CID 96996651) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is (7-ethyl-1H-indol-3-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(7-ethyl-1H-indol-3-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
PubChem CID96996651
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name(7-ethyl-1H-indol-3-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
SMILESCCc1cccc2c(C(=O)N3CCN([C@H]4CCC[C@H]4O)CC3)c[nH]c12
InChIInChI=1S/C20H27N3O2/c1-2-14-5-3-6-15-16(13-21-19(14)15)20(25)23-11-9-22(10-12-23)17-7-4-8-18(17)24/h3,5-6,13,17-18,21,24H,2,4,7-12H2,1H3/t17-,18+/m0/s1
InChIKeyCKPWILXFXOZXAO-ZWKOTPCHSA-N
XLogP2.40
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (7-ethyl-1H-indol-3-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(7-ethyl-1H-indol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95609549
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[2-(methoxymethyl)phenyl]methanone
CID 96500622
4-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 95759127
1-(7-ethyl-1H-indol-3-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 9275355
1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-(7-ethyl-1H-indol-3-yl)ethanone
CID 86904029
1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 97017418
ethyl 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]piperidine-4-carboxylate
CID 26371565
(2,5-dimethylphenyl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759044
(4-ethyl-5-methylthiophen-2-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95758886
7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide
CID 174432933
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 7939925
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95758964

Frequently Asked Questions

What is the IUPAC name of (7-ethyl-1H-indol-3-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The IUPAC name of (7-ethyl-1H-indol-3-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone (CID 96996651) is (7-ethyl-1H-indol-3-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone.
What is the SMILES notation for (7-ethyl-1H-indol-3-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The canonical SMILES for (7-ethyl-1H-indol-3-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone is CCc1cccc2c(C(=O)N3CCN([C@H]4CCC[C@H]4O)CC3)c[nH]c12.
What is the InChIKey of (7-ethyl-1H-indol-3-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The InChIKey is CKPWILXFXOZXAO-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-2-14-5-3-6-15-16(13-21-19(14)15)20(25)23-11-9-22(10-12-23)17-7-4-8-18(17)24/h3,5-6,13,17-18,21,24H,2,4,7-12H2,1H3/t17-,18+/m0/s1.
What are the key properties of (7-ethyl-1H-indol-3-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
(7-ethyl-1H-indol-3-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone has a molecular weight of 341.45 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethyl-1H-indol-3-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone is sourced from PubChem (CID 96996651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).