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

C21H24N4O4 — CID 18582437

IUPAC4-(furan-2-carbonyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide
SMILESCOCCn1cc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc21
InChIInChI=1S/C21H24N4O4/c1-28-14-12-25-15-17(16-5-2-3-6-18(16)25)22-21(27)24-10-8-23(9-11-24)20(26)19-7-4-13-29-19/h2-7,13,15H,8-12,14H2,1H3,(H,22,27)
InChIKeyACMNIQQEZRSZAL-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.87
Rot. Bonds5

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

4-(furan-2-carbonyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide (PubChem CID 18582437) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(furan-2-carbonyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide
PubChem CID18582437
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name4-(furan-2-carbonyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide
SMILESCOCCn1cc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc21
InChIInChI=1S/C21H24N4O4/c1-28-14-12-25-15-17(16-5-2-3-6-18(16)25)22-21(27)24-10-8-23(9-11-24)20(26)19-7-4-13-29-19/h2-7,13,15H,8-12,14H2,1H3,(H,22,27)
InChIKeyACMNIQQEZRSZAL-UHFFFAOYSA-N
XLogP2.87
TPSA79.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
N-(2,3-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 20506465
N-(2-cyanophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2100948
1-[(2S)-2-hydroxypropyl]-3-[1-(2-methoxyethyl)indol-3-yl]urea
CID 40519801
1-benzyl-1-butyl-3-[1-(2-methoxyethyl)indol-3-yl]urea
CID 40519751
[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110801875
furan-2-yl-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone
CID 113087188
4-(furan-2-carbonyl)-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 52624883
furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150870
N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 56557256
4-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide
CID 47033198
1-ethyl-3-[1-(2-methoxyethyl)indol-3-yl]-1-(2-methylphenyl)urea
CID 40519863

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(furan-2-carbonyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide (CID 18582437) is 4-(furan-2-carbonyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(furan-2-carbonyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(furan-2-carbonyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide is COCCn1cc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc21.
What is the InChIKey of 4-(furan-2-carbonyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide?
The InChIKey is ACMNIQQEZRSZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-28-14-12-25-15-17(16-5-2-3-6-18(16)25)22-21(27)24-10-8-23(9-11-24)20(26)19-7-4-13-29-19/h2-7,13,15H,8-12,14H2,1H3,(H,22,27).
What are the key properties of 4-(furan-2-carbonyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide?
4-(furan-2-carbonyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-carbonyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 18582437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).