6,7,8,9-tetrahydro-5H-carbazol-1-yl-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone

C21H25N5O — CID 146090949

IUPAC6,7,8,9-tetrahydro-5H-carbazol-1-yl-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc2c3c([nH]c12)CCCC3)N1CCC(Cn2cncn2)CC1
InChIInChI=1S/C21H25N5O/c27-21(25-10-8-15(9-11-25)12-26-14-22-13-23-26)18-6-3-5-17-16-4-1-2-7-19(16)24-20(17)18/h3,5-6,13-15,24H,1-2,4,7-12H2
InChIKeyYDGAHSTVOWTUOO-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.19
Rot. Bonds3

About 6,7,8,9-tetrahydro-5H-carbazol-1-yl-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone

6,7,8,9-tetrahydro-5H-carbazol-1-yl-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 146090949) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-5H-carbazol-1-yl-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-5H-carbazol-1-yl-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID146090949
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name6,7,8,9-tetrahydro-5H-carbazol-1-yl-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc2c3c([nH]c12)CCCC3)N1CCC(Cn2cncn2)CC1
InChIInChI=1S/C21H25N5O/c27-21(25-10-8-15(9-11-25)12-26-14-22-13-23-26)18-6-3-5-17-16-4-1-2-7-19(16)24-20(17)18/h3,5-6,13-15,24H,1-2,4,7-12H2
InChIKeyYDGAHSTVOWTUOO-UHFFFAOYSA-N
XLogP3.19
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone
CID 90651430
[4-(2-chlorophenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone
CID 37253115
[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone
CID 135110871
(4-ethyl-2-hydroxyphenyl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 122139181
1'-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 154840539
3-ethyl-8-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70761535
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone
CID 46581850
(2-phenylpyrimidin-4-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 138017008
4-[4-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)-1,4-diazepan-1-yl]benzonitrile
CID 55720896
[(2R)-1-carbamoylpyrrolidin-2-yl]methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 99564791
[(2S)-1-carbamoylpyrrolidin-2-yl]methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 99564790
6,7,8,9-tetrahydro-5H-carbazol-1-yl-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 34989521

Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-5H-carbazol-1-yl-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of 6,7,8,9-tetrahydro-5H-carbazol-1-yl-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone (CID 146090949) is 6,7,8,9-tetrahydro-5H-carbazol-1-yl-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 6,7,8,9-tetrahydro-5H-carbazol-1-yl-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for 6,7,8,9-tetrahydro-5H-carbazol-1-yl-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone is O=C(c1cccc2c3c([nH]c12)CCCC3)N1CCC(Cn2cncn2)CC1.
What is the InChIKey of 6,7,8,9-tetrahydro-5H-carbazol-1-yl-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is YDGAHSTVOWTUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c27-21(25-10-8-15(9-11-25)12-26-14-22-13-23-26)18-6-3-5-17-16-4-1-2-7-19(16)24-20(17)18/h3,5-6,13-15,24H,1-2,4,7-12H2.
What are the key properties of 6,7,8,9-tetrahydro-5H-carbazol-1-yl-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone?
6,7,8,9-tetrahydro-5H-carbazol-1-yl-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 363.47 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-5H-carbazol-1-yl-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 146090949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).