1-carbazol-9-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

C26H27N3O2 — CID 17122032

IUPAC1-carbazol-9-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1N1CCN(C(C)C(=O)n2c3ccccc3c3ccccc32)CC1
InChIInChI=1S/C26H27N3O2/c1-19(27-15-17-28(18-16-27)24-13-7-8-14-25(24)31-2)26(30)29-22-11-5-3-9-20(22)21-10-4-6-12-23(21)29/h3-14,19H,15-18H2,1-2H3
InChIKeyUSUPQZPLKKDNCA-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.65
Rot. Bonds4

About 1-carbazol-9-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

1-carbazol-9-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 17122032) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 1-carbazol-9-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-carbazol-9-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID17122032
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name1-carbazol-9-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1N1CCN(C(C)C(=O)n2c3ccccc3c3ccccc32)CC1
InChIInChI=1S/C26H27N3O2/c1-19(27-15-17-28(18-16-27)24-13-7-8-14-25(24)31-2)26(30)29-22-11-5-3-9-20(22)21-10-4-6-12-23(21)29/h3-14,19H,15-18H2,1-2H3
InChIKeyUSUPQZPLKKDNCA-UHFFFAOYSA-N
XLogP4.65
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 47016293
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 17392933
(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 2442399
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 17445171
2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutanoic acid
CID 22681684
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 92987474
1-carbazol-9-yl-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one
CID 122498630
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 9249291
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623
(2R)-N-[2-(dimethylamino)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 92984615
(2S)-N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249441
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 40932948

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-carbazol-9-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (CID 17122032) is 1-carbazol-9-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-carbazol-9-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-carbazol-9-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is COc1ccccc1N1CCN(C(C)C(=O)n2c3ccccc3c3ccccc32)CC1.
What is the InChIKey of 1-carbazol-9-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is USUPQZPLKKDNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-19(27-15-17-28(18-16-27)24-13-7-8-14-25(24)31-2)26(30)29-22-11-5-3-9-20(22)21-10-4-6-12-23(21)29/h3-14,19H,15-18H2,1-2H3.
What are the key properties of 1-carbazol-9-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
1-carbazol-9-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 413.52 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 17122032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).