(1-ethylindol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone

C18H25N3O2 — CID 95606910

IUPAC(1-ethylindol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCN(C[C@H](C)O)CC2)c2ccccc21
InChIInChI=1S/C18H25N3O2/c1-3-20-13-16(15-6-4-5-7-17(15)20)18(23)21-10-8-19(9-11-21)12-14(2)22/h4-7,13-14,22H,3,8-12H2,1-2H3/t14-/m0/s1
InChIKeyBMROIBAQMUEIJE-AWEZNQCLSA-N
MW315.42 g/mol
LogP1.80
Rot. Bonds4

About (1-ethylindol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone

(1-ethylindol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone (PubChem CID 95606910) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (1-ethylindol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylindol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
PubChem CID95606910
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(1-ethylindol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCN(C[C@H](C)O)CC2)c2ccccc21
InChIInChI=1S/C18H25N3O2/c1-3-20-13-16(15-6-4-5-7-17(15)20)18(23)21-10-8-19(9-11-21)12-14(2)22/h4-7,13-14,22H,3,8-12H2,1-2H3/t14-/m0/s1
InChIKeyBMROIBAQMUEIJE-AWEZNQCLSA-N
XLogP1.80
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethylindol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 112798203
(1-ethylindol-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95607135
(2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779831
(1-ethylindol-3-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 110108182
(7-ethyl-1H-indol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95609549
(1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 10735404
2-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]benzenesulfonamide
CID 1239368
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylindol-3-yl)methanone
CID 166240989
[4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 70229346
[1-(2-methylpropyl)indol-3-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone
CID 55914067
(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

Frequently Asked Questions

What is the IUPAC name of (1-ethylindol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone?
The IUPAC name of (1-ethylindol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone (CID 95606910) is (1-ethylindol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone.
What is the SMILES notation for (1-ethylindol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone?
The canonical SMILES for (1-ethylindol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone is CCn1cc(C(=O)N2CCN(C[C@H](C)O)CC2)c2ccccc21.
What is the InChIKey of (1-ethylindol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone?
The InChIKey is BMROIBAQMUEIJE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-20-13-16(15-6-4-5-7-17(15)20)18(23)21-10-8-19(9-11-21)12-14(2)22/h4-7,13-14,22H,3,8-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (1-ethylindol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone?
(1-ethylindol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone has a molecular weight of 315.42 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylindol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95606910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).