1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]ethanone

C21H25N3O2 — CID 2899994

IUPAC1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC(O)Cn2c3ccccc3c3ccccc32)CC1
InChIInChI=1S/C21H25N3O2/c1-16(25)23-12-10-22(11-13-23)14-17(26)15-24-20-8-4-2-6-18(20)19-7-3-5-9-21(19)24/h2-9,17,26H,10-15H2,1H3
InChIKeyCVPQMOQOJPZREW-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.32
Rot. Bonds4

About 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]ethanone

1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]ethanone (PubChem CID 2899994) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]ethanone
PubChem CID2899994
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC(O)Cn2c3ccccc3c3ccccc32)CC1
InChIInChI=1S/C21H25N3O2/c1-16(25)23-12-10-22(11-13-23)14-17(26)15-24-20-8-4-2-6-18(20)19-7-3-5-9-21(19)24/h2-9,17,26H,10-15H2,1H3
InChIKeyCVPQMOQOJPZREW-UHFFFAOYSA-N
XLogP2.32
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]ethanone (CID 2899994) is 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(CC(O)Cn2c3ccccc3c3ccccc32)CC1.
What is the InChIKey of 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]ethanone?
The InChIKey is CVPQMOQOJPZREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16(25)23-12-10-22(11-13-23)14-17(26)15-24-20-8-4-2-6-18(20)19-7-3-5-9-21(19)24/h2-9,17,26H,10-15H2,1H3.
What are the key properties of 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]ethanone?
1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]ethanone has a molecular weight of 351.45 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 2899994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).