2-[4-[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]piperazin-1-yl]-N-methylacetamide

C24H28N4O2 — CID 78813382

IUPAC2-[4-[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]piperazin-1-yl]-N-methylacetamide
SMILESCCn1c2ccccc2c2cc(/C=C/C(=O)N3CCN(CC(=O)NC)CC3)ccc21
InChIInChI=1S/C24H28N4O2/c1-3-28-21-7-5-4-6-19(21)20-16-18(8-10-22(20)28)9-11-24(30)27-14-12-26(13-15-27)17-23(29)25-2/h4-11,16H,3,12-15,17H2,1-2H3,(H,25,29)/b11-9+
InChIKeyAIRUHTSMPSRZCD-PKNBQFBNSA-N
MW404.51 g/mol
LogP2.72
Rot. Bonds5

About 2-[4-[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]piperazin-1-yl]-N-methylacetamide

2-[4-[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]piperazin-1-yl]-N-methylacetamide (PubChem CID 78813382) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[4-[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]piperazin-1-yl]-N-methylacetamide
PubChem CID78813382
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name2-[4-[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]piperazin-1-yl]-N-methylacetamide
SMILESCCn1c2ccccc2c2cc(/C=C/C(=O)N3CCN(CC(=O)NC)CC3)ccc21
InChIInChI=1S/C24H28N4O2/c1-3-28-21-7-5-4-6-19(21)20-16-18(8-10-22(20)28)9-11-24(30)27-14-12-26(13-15-27)17-23(29)25-2/h4-11,16H,3,12-15,17H2,1-2H3,(H,25,29)/b11-9+
InChIKeyAIRUHTSMPSRZCD-PKNBQFBNSA-N
XLogP2.72
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide
CID 55394225
3-(9-ethylcarbazol-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide
CID 103599343
1-(2-aminophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one
CID 71372095
(3E)-4-(9-ethylcarbazol-3-yl)buta-1,3-diene-1,1,2-tricarbonitrile
CID 171377802
(E)-3-(9-ethylcarbazol-3-yl)-N-(2-methoxyethyl)prop-2-enamide
CID 29198621
(1E,4E)-1-(9-ethylcarbazol-3-yl)-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one
CID 58442655
(1E,4E)-1-(9-ethylcarbazol-3-yl)-5-(4-hydroxy-3-methoxyphenyl)penta-1,4-dien-3-one
CID 89057721
[[(1E,4E)-1,5-bis(9-ethylcarbazol-3-yl)penta-1,4-dien-3-ylidene]amino] benzoate
CID 156769873
N-(2-ethylphenyl)-2-[4-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperazin-1-yl]acetamide
CID 9022461
(E)-1-(4-ethylpiperazin-1-yl)-3-(3-phenylphenyl)prop-2-en-1-one
CID 75362636
N-benzyl-2-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperazin-1-yl]acetamide
CID 30457276
(E)-3-(3-aminophenyl)-1-(4-ethylpiperazin-1-yl)prop-2-en-1-one
CID 39360436

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]piperazin-1-yl]-N-methylacetamide (CID 78813382) is 2-[4-[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]piperazin-1-yl]-N-methylacetamide is CCn1c2ccccc2c2cc(/C=C/C(=O)N3CCN(CC(=O)NC)CC3)ccc21.
What is the InChIKey of 2-[4-[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]piperazin-1-yl]-N-methylacetamide?
The InChIKey is AIRUHTSMPSRZCD-PKNBQFBNSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-3-28-21-7-5-4-6-19(21)20-16-18(8-10-22(20)28)9-11-24(30)27-14-12-26(13-15-27)17-23(29)25-2/h4-11,16H,3,12-15,17H2,1-2H3,(H,25,29)/b11-9+.
What are the key properties of 2-[4-[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]piperazin-1-yl]-N-methylacetamide?
2-[4-[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]piperazin-1-yl]-N-methylacetamide has a molecular weight of 404.51 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 78813382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).