[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone

C18H23N3O3 — CID 167764808

IUPAC[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(CC2COCCO2)CC1
InChIInChI=1S/C18H23N3O3/c22-18(17-11-14-3-1-2-4-16(14)19-17)21-7-5-20(6-8-21)12-15-13-23-9-10-24-15/h1-4,11,15,19H,5-10,12-13H2
InChIKeyDCQDJULNTXKCRF-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.34
Rot. Bonds3

About [4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone

[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone (PubChem CID 167764808) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is [4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
PubChem CID167764808
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(CC2COCCO2)CC1
InChIInChI=1S/C18H23N3O3/c22-18(17-11-14-3-1-2-4-16(14)19-17)21-7-5-20(6-8-21)12-15-13-23-9-10-24-15/h1-4,11,15,19H,5-10,12-13H2
InChIKeyDCQDJULNTXKCRF-UHFFFAOYSA-N
XLogP1.34
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone (CID 167764808) is [4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CCN(CC2COCCO2)CC1.
What is the InChIKey of [4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone?
The InChIKey is DCQDJULNTXKCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-18(17-11-14-3-1-2-4-16(14)19-17)21-7-5-20(6-8-21)12-15-13-23-9-10-24-15/h1-4,11,15,19H,5-10,12-13H2.
What are the key properties of [4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone?
[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 167764808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).