[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanone

C22H24N4O — CID 26278807

IUPAC[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanone
SMILESO=C([C@@H]1CCCc2c1[nH]c1ccccc21)N1CCC[C@H](c2ccncn2)C1
InChIInChI=1S/C22H24N4O/c27-22(26-12-4-5-15(13-26)19-10-11-23-14-24-19)18-8-3-7-17-16-6-1-2-9-20(16)25-21(17)18/h1-2,6,9-11,14-15,18,25H,3-5,7-8,12-13H2/t15-,18+/m0/s1
InChIKeyALMPDMIFOQYFLU-MAUKXSAKSA-N
MW360.46 g/mol
LogP3.78
Rot. Bonds2

About [(3S)-3-pyrimidin-4-ylpiperidin-1-yl]-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanone

[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanone (PubChem CID 26278807) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is [(3S)-3-pyrimidin-4-ylpiperidin-1-yl]-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanone
PubChem CID26278807
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanone
SMILESO=C([C@@H]1CCCc2c1[nH]c1ccccc21)N1CCC[C@H](c2ccncn2)C1
InChIInChI=1S/C22H24N4O/c27-22(26-12-4-5-15(13-26)19-10-11-23-14-24-19)18-8-3-7-17-16-6-1-2-9-20(16)25-21(17)18/h1-2,6,9-11,14-15,18,25H,3-5,7-8,12-13H2/t15-,18+/m0/s1
InChIKeyALMPDMIFOQYFLU-MAUKXSAKSA-N
XLogP3.78
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(1R)-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl]piperazin-1-yl]ethanone
CID 29258867
[4-(1H-imidazol-2-yl)piperidin-1-yl]-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)methanone
CID 70761206
morpholin-4-yl(2,3,4,9-tetrahydro-1H-carbazol-1-yl)methanone
CID 131916432
1H-indol-2-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 26341767
(4-pyrimidin-2-ylpiperazin-1-yl)-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 154885497
(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)methanone
CID 154569334
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124991616
(E)-3-phenyl-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]prop-2-en-1-one
CID 125018008
(1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 95845824
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]ethanone
CID 124964626
[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 124964339
[2-(4-fluorophenyl)phenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 99994862

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-pyrimidin-4-ylpiperidin-1-yl]-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanone?
The IUPAC name of [(3S)-3-pyrimidin-4-ylpiperidin-1-yl]-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanone (CID 26278807) is [(3S)-3-pyrimidin-4-ylpiperidin-1-yl]-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanone.
What is the SMILES notation for [(3S)-3-pyrimidin-4-ylpiperidin-1-yl]-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanone?
The canonical SMILES for [(3S)-3-pyrimidin-4-ylpiperidin-1-yl]-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanone is O=C([C@@H]1CCCc2c1[nH]c1ccccc21)N1CCC[C@H](c2ccncn2)C1.
What is the InChIKey of [(3S)-3-pyrimidin-4-ylpiperidin-1-yl]-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanone?
The InChIKey is ALMPDMIFOQYFLU-MAUKXSAKSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(26-12-4-5-15(13-26)19-10-11-23-14-24-19)18-8-3-7-17-16-6-1-2-9-20(16)25-21(17)18/h1-2,6,9-11,14-15,18,25H,3-5,7-8,12-13H2/t15-,18+/m0/s1.
What are the key properties of [(3S)-3-pyrimidin-4-ylpiperidin-1-yl]-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanone?
[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanone has a molecular weight of 360.46 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-pyrimidin-4-ylpiperidin-1-yl]-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanone is sourced from PubChem (CID 26278807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).