(9-ethyl-6-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-piperazin-1-ylmethanone

C20H27N3O — CID 84613151

IUPAC(9-ethyl-6-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-piperazin-1-ylmethanone
SMILESCCn1c2c(c3cc(C)ccc31)CC(C(=O)N1CCNCC1)CC2
InChIInChI=1S/C20H27N3O/c1-3-23-18-6-4-14(2)12-16(18)17-13-15(5-7-19(17)23)20(24)22-10-8-21-9-11-22/h4,6,12,15,21H,3,5,7-11,13H2,1-2H3
InChIKeyGCLFTJLWRDPRLD-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.51
Rot. Bonds2

About (9-ethyl-6-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-piperazin-1-ylmethanone

(9-ethyl-6-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-piperazin-1-ylmethanone (PubChem CID 84613151) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is (9-ethyl-6-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(9-ethyl-6-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-piperazin-1-ylmethanone
PubChem CID84613151
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name(9-ethyl-6-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-piperazin-1-ylmethanone
SMILESCCn1c2c(c3cc(C)ccc31)CC(C(=O)N1CCNCC1)CC2
InChIInChI=1S/C20H27N3O/c1-3-23-18-6-4-14(2)12-16(18)17-13-15(5-7-19(17)23)20(24)22-10-8-21-9-11-22/h4,6,12,15,21H,3,5,7-11,13H2,1-2H3
InChIKeyGCLFTJLWRDPRLD-UHFFFAOYSA-N
XLogP2.51
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-ethyl-6-fluoro-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
CID 82121618
9-ethyl-6-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 83946773
ethyl 6,9-dimethyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84612098
ethyl 6-chloro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84612169
2-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 67358399
6-methyl-9-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 84612353
(1,5-dimethylindol-3-yl)-piperidin-4-ylmethanone
CID 82499713
4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid
CID 83946840
6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide
CID 84613207
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119401627
6,7-dichloro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
CID 84612177
9-(carboxymethyl)-6-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 83948261

Frequently Asked Questions

What is the IUPAC name of (9-ethyl-6-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-piperazin-1-ylmethanone?
The IUPAC name of (9-ethyl-6-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-piperazin-1-ylmethanone (CID 84613151) is (9-ethyl-6-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (9-ethyl-6-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (9-ethyl-6-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-piperazin-1-ylmethanone is CCn1c2c(c3cc(C)ccc31)CC(C(=O)N1CCNCC1)CC2.
What is the InChIKey of (9-ethyl-6-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-piperazin-1-ylmethanone?
The InChIKey is GCLFTJLWRDPRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-23-18-6-4-14(2)12-16(18)17-13-15(5-7-19(17)23)20(24)22-10-8-21-9-11-22/h4,6,12,15,21H,3,5,7-11,13H2,1-2H3.
What are the key properties of (9-ethyl-6-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-piperazin-1-ylmethanone?
(9-ethyl-6-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-piperazin-1-ylmethanone has a molecular weight of 325.46 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-ethyl-6-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 84613151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).