(9-ethyl-5,6-dihydrocarbazol-3-yl)-(4-methylpiperazin-1-yl)methanone

C20H25N3O — CID 123521108

IUPAC(9-ethyl-5,6-dihydrocarbazol-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCCn1c2c(c3cc(C(=O)N4CCN(C)CC4)ccc31)CCC=C2
InChIInChI=1S/C20H25N3O/c1-3-23-18-7-5-4-6-16(18)17-14-15(8-9-19(17)23)20(24)22-12-10-21(2)11-13-22/h5,7-9,14H,3-4,6,10-13H2,1-2H3
InChIKeyBWPTXYQSZDFBOL-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.01
Rot. Bonds2

About (9-ethyl-5,6-dihydrocarbazol-3-yl)-(4-methylpiperazin-1-yl)methanone

(9-ethyl-5,6-dihydrocarbazol-3-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 123521108) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (9-ethyl-5,6-dihydrocarbazol-3-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(9-ethyl-5,6-dihydrocarbazol-3-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID123521108
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(9-ethyl-5,6-dihydrocarbazol-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCCn1c2c(c3cc(C(=O)N4CCN(C)CC4)ccc31)CCC=C2
InChIInChI=1S/C20H25N3O/c1-3-23-18-7-5-4-6-16(18)17-14-15(8-9-19(17)23)20(24)22-12-10-21(2)11-13-22/h5,7-9,14H,3-4,6,10-13H2,1-2H3
InChIKeyBWPTXYQSZDFBOL-UHFFFAOYSA-N
XLogP3.01
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethyl-2,3-dimethylindol-5-yl)-thiomorpholin-4-ylmethanone
CID 5015099
9-ethyl-3,6-bis(9-ethylcarbazol-3-yl)carbazole;3-(9-ethylcarbazol-3-yl)-9-[4-[4-[3-(9-ethyl-5,6-dihydrocarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]carbazole;9-ethyl-3-(9-ethylcarbazol-3-yl)-6-[9-ethyl-6-(9-ethylcarbazol-3-yl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 157190296
1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one
CID 112721883
[4-(4-chlorophenyl)piperazin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone
CID 95754456
(4-methylpiperazin-1-yl)-(3-propylphenyl)methanone
CID 70962080
(2-methyl-1,3-dihydroisoindol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 59274108
(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 110485510
4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid
CID 83946840
(9-butyl-5,6,7,8-tetrahydrocarbazol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 143849927
[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]-[9-[3-(4-methylpiperazin-1-yl)propyl]carbazol-3-yl]methanone
CID 118666931
1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone
CID 622083
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499

Frequently Asked Questions

What is the IUPAC name of (9-ethyl-5,6-dihydrocarbazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (9-ethyl-5,6-dihydrocarbazol-3-yl)-(4-methylpiperazin-1-yl)methanone (CID 123521108) is (9-ethyl-5,6-dihydrocarbazol-3-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (9-ethyl-5,6-dihydrocarbazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (9-ethyl-5,6-dihydrocarbazol-3-yl)-(4-methylpiperazin-1-yl)methanone is CCn1c2c(c3cc(C(=O)N4CCN(C)CC4)ccc31)CCC=C2.
What is the InChIKey of (9-ethyl-5,6-dihydrocarbazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is BWPTXYQSZDFBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-3-23-18-7-5-4-6-16(18)17-14-15(8-9-19(17)23)20(24)22-12-10-21(2)11-13-22/h5,7-9,14H,3-4,6,10-13H2,1-2H3.
What are the key properties of (9-ethyl-5,6-dihydrocarbazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
(9-ethyl-5,6-dihydrocarbazol-3-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 323.44 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-ethyl-5,6-dihydrocarbazol-3-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 123521108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).