ethyl 1-[2-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl-methylamino]acetyl]piperidine-4-carboxylate

C28H33N3O4 — CID 72684622

IUPACethyl 1-[2-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl-methylamino]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN(C)C(=O)C=Cc2ccc3c(c2)c2ccccc2n3CC)CC1
InChIInChI=1S/C28H33N3O4/c1-4-31-24-9-7-6-8-22(24)23-18-20(10-12-25(23)31)11-13-26(32)29(3)19-27(33)30-16-14-21(15-17-30)28(34)35-5-2/h6-13,18,21H,4-5,14-17,19H2,1-3H3
InChIKeyIEJOUJOMKBGNNY-UHFFFAOYSA-N
MW475.59 g/mol
LogP4.09
Rot. Bonds7

About ethyl 1-[2-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl-methylamino]acetyl]piperidine-4-carboxylate

ethyl 1-[2-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl-methylamino]acetyl]piperidine-4-carboxylate (PubChem CID 72684622) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is ethyl 1-[2-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl-methylamino]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl-methylamino]acetyl]piperidine-4-carboxylate
PubChem CID72684622
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC Nameethyl 1-[2-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl-methylamino]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN(C)C(=O)C=Cc2ccc3c(c2)c2ccccc2n3CC)CC1
InChIInChI=1S/C28H33N3O4/c1-4-31-24-9-7-6-8-22(24)23-18-20(10-12-25(23)31)11-13-26(32)29(3)19-27(33)30-16-14-21(15-17-30)28(34)35-5-2/h6-13,18,21H,4-5,14-17,19H2,1-3H3
InChIKeyIEJOUJOMKBGNNY-UHFFFAOYSA-N
XLogP4.09
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(9-ethylcarbazol-3-yl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide
CID 86896908
(E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide
CID 51110283
ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]piperidine-4-carboxylate
CID 16587229
(E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide
CID 55394225
1-(2-aminophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one
CID 71372095
(E)-3-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)prop-2-enamide
CID 115343343
ethyl 1-[2-[N-(dimethylsulfamoyl)anilino]acetyl]piperidine-4-carboxylate
CID 6456631
(1E,4E)-1-(9-ethylcarbazol-3-yl)-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one
CID 58442655
ethyl 1-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 2421643
ethyl (3S)-1-[2-[methyl-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]acetyl]piperidine-3-carboxylate
CID 52536494
ethyl 1-[2-(4-ethylphenyl)acetyl]piperidine-4-carboxylate
CID 99705064
1-acetyl-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide
CID 17127014

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl-methylamino]acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl-methylamino]acetyl]piperidine-4-carboxylate (CID 72684622) is ethyl 1-[2-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl-methylamino]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl-methylamino]acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl-methylamino]acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CN(C)C(=O)C=Cc2ccc3c(c2)c2ccccc2n3CC)CC1.
What is the InChIKey of ethyl 1-[2-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl-methylamino]acetyl]piperidine-4-carboxylate?
The InChIKey is IEJOUJOMKBGNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-4-31-24-9-7-6-8-22(24)23-18-20(10-12-25(23)31)11-13-26(32)29(3)19-27(33)30-16-14-21(15-17-30)28(34)35-5-2/h6-13,18,21H,4-5,14-17,19H2,1-3H3.
What are the key properties of ethyl 1-[2-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl-methylamino]acetyl]piperidine-4-carboxylate?
ethyl 1-[2-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl-methylamino]acetyl]piperidine-4-carboxylate has a molecular weight of 475.59 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[3-(9-ethylcarbazol-3-yl)prop-2-enoyl-methylamino]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 72684622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).