4-formyl-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide

C17H22N4O3 — CID 40519785

IUPAC4-formyl-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide
SMILESCOCCn1cc(NC(=O)N2CCN(C=O)CC2)c2ccccc21
InChIInChI=1S/C17H22N4O3/c1-24-11-10-21-12-15(14-4-2-3-5-16(14)21)18-17(23)20-8-6-19(13-22)7-9-20/h2-5,12-13H,6-11H2,1H3,(H,18,23)
InChIKeyASDUDSSRFGHMRC-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.59
Rot. Bonds5

About 4-formyl-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide

4-formyl-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide (PubChem CID 40519785) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-formyl-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-formyl-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide
PubChem CID40519785
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name4-formyl-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide
SMILESCOCCn1cc(NC(=O)N2CCN(C=O)CC2)c2ccccc21
InChIInChI=1S/C17H22N4O3/c1-24-11-10-21-12-15(14-4-2-3-5-16(14)21)18-17(23)20-8-6-19(13-22)7-9-20/h2-5,12-13H,6-11H2,1H3,(H,18,23)
InChIKeyASDUDSSRFGHMRC-UHFFFAOYSA-N
XLogP1.59
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-methoxyethyl)indol-3-yl]-4-methylpiperidine-1-carboxamide
CID 18582430
4-(furan-2-carbonyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide
CID 18582437
1-[1-(2-methoxyethyl)indol-3-yl]-3-propan-2-ylurea
CID 40519790
1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methoxyethyl)indol-3-yl]urea
CID 40519808
1-[(2S)-2-hydroxypropyl]-3-[1-(2-methoxyethyl)indol-3-yl]urea
CID 40519801
4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 3736870
1-[1-(2-methoxyethyl)indol-3-yl]-3-(2,4,6-trimethylphenyl)urea
CID 18582507
1-[1-(2-methoxyethyl)indol-3-yl]-3-(thiophen-2-ylmethyl)urea
CID 18582459
1-ethyl-3-[1-(2-methoxyethyl)indol-3-yl]-1-(2-methylphenyl)urea
CID 40519863
1-[1-(2-methoxyethyl)indol-3-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 16803764
1-(2-methoxyethyl)indole-3-carbaldehyde
CID 2194468
ethyl 4-[[1-(2-methoxyethyl)indol-3-yl]carbamoylamino]benzoate
CID 40519874

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide?
The IUPAC name of 4-formyl-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide (CID 40519785) is 4-formyl-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-formyl-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-formyl-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide is COCCn1cc(NC(=O)N2CCN(C=O)CC2)c2ccccc21.
What is the InChIKey of 4-formyl-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide?
The InChIKey is ASDUDSSRFGHMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-24-11-10-21-12-15(14-4-2-3-5-16(14)21)18-17(23)20-8-6-19(13-22)7-9-20/h2-5,12-13H,6-11H2,1H3,(H,18,23).
What are the key properties of 4-formyl-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide?
4-formyl-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 40519785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).