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

C18H25N3O2 — CID 95609549

IUPAC(7-ethyl-1H-indol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
SMILESCCc1cccc2c(C(=O)N3CCN(C[C@H](C)O)CC3)c[nH]c12
InChIInChI=1S/C18H25N3O2/c1-3-14-5-4-6-15-16(11-19-17(14)15)18(23)21-9-7-20(8-10-21)12-13(2)22/h4-6,11,13,19,22H,3,7-10,12H2,1-2H3/t13-/m0/s1
InChIKeyBRFDDBLJJJAFCM-ZDUSSCGKSA-N
MW315.42 g/mol
LogP1.87
Rot. Bonds4

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

(7-ethyl-1H-indol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone (PubChem CID 95609549) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (7-ethyl-1H-indol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(7-ethyl-1H-indol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
PubChem CID95609549
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(7-ethyl-1H-indol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
SMILESCCc1cccc2c(C(=O)N3CCN(C[C@H](C)O)CC3)c[nH]c12
InChIInChI=1S/C18H25N3O2/c1-3-14-5-4-6-15-16(11-19-17(14)15)18(23)21-9-7-20(8-10-21)12-13(2)22/h4-6,11,13,19,22H,3,7-10,12H2,1-2H3/t13-/m0/s1
InChIKeyBRFDDBLJJJAFCM-ZDUSSCGKSA-N
XLogP1.87
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

(7-ethyl-1H-indol-3-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96996651
7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide
CID 174432933
(1-ethylindol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95606910
[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 95758749
(2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779831
1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-(7-ethyl-1H-indol-3-yl)ethanone
CID 86904029
[4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 70229346
7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide;fluorobenzene
CID 174432932
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(7-ethyl-1H-indol-3-yl)ethanone
CID 9248225
(2-ethoxynaphthalen-1-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 97038933
(2,4-dimethylphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779839
(2,5-dichlorophenyl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95337497

Frequently Asked Questions

What is the IUPAC name of (7-ethyl-1H-indol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone?
The IUPAC name of (7-ethyl-1H-indol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone (CID 95609549) is (7-ethyl-1H-indol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone.
What is the SMILES notation for (7-ethyl-1H-indol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone?
The canonical SMILES for (7-ethyl-1H-indol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone is CCc1cccc2c(C(=O)N3CCN(C[C@H](C)O)CC3)c[nH]c12.
What is the InChIKey of (7-ethyl-1H-indol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone?
The InChIKey is BRFDDBLJJJAFCM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-14-5-4-6-15-16(11-19-17(14)15)18(23)21-9-7-20(8-10-21)12-13(2)22/h4-6,11,13,19,22H,3,7-10,12H2,1-2H3/t13-/m0/s1.
What are the key properties of (7-ethyl-1H-indol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone?
(7-ethyl-1H-indol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone has a molecular weight of 315.42 g/mol, XLogP of 1.87, 4 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-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95609549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).