4-(5-methylfuran-2-carbonyl)-N-[(2-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide

C22H28N4O4 — CID 86880960

IUPAC4-(5-methylfuran-2-carbonyl)-N-[(2-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)NCc3ccccc3N3CCOCC3)CC2)o1
InChIInChI=1S/C22H28N4O4/c1-17-6-7-20(30-17)21(27)25-8-10-26(11-9-25)22(28)23-16-18-4-2-3-5-19(18)24-12-14-29-15-13-24/h2-7H,8-16H2,1H3,(H,23,28)
InChIKeySNHNBKMWSLJQNU-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.09
Rot. Bonds4

About 4-(5-methylfuran-2-carbonyl)-N-[(2-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide

4-(5-methylfuran-2-carbonyl)-N-[(2-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 86880960) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-(5-methylfuran-2-carbonyl)-N-[(2-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-methylfuran-2-carbonyl)-N-[(2-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide
PubChem CID86880960
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Name4-(5-methylfuran-2-carbonyl)-N-[(2-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)NCc3ccccc3N3CCOCC3)CC2)o1
InChIInChI=1S/C22H28N4O4/c1-17-6-7-20(30-17)21(27)25-8-10-26(11-9-25)22(28)23-16-18-4-2-3-5-19(18)24-12-14-29-15-13-24/h2-7H,8-16H2,1H3,(H,23,28)
InChIKeySNHNBKMWSLJQNU-UHFFFAOYSA-N
XLogP2.09
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(5-methylfuran-2-carbonyl)-N-[(2-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylfuran-2-carbonyl)-N-[(2-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(5-methylfuran-2-carbonyl)-N-[(2-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide (CID 86880960) is 4-(5-methylfuran-2-carbonyl)-N-[(2-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-methylfuran-2-carbonyl)-N-[(2-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(5-methylfuran-2-carbonyl)-N-[(2-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide is Cc1ccc(C(=O)N2CCN(C(=O)NCc3ccccc3N3CCOCC3)CC2)o1.
What is the InChIKey of 4-(5-methylfuran-2-carbonyl)-N-[(2-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is SNHNBKMWSLJQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-17-6-7-20(30-17)21(27)25-8-10-26(11-9-25)22(28)23-16-18-4-2-3-5-19(18)24-12-14-29-15-13-24/h2-7H,8-16H2,1H3,(H,23,28).
What are the key properties of 4-(5-methylfuran-2-carbonyl)-N-[(2-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide?
4-(5-methylfuran-2-carbonyl)-N-[(2-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylfuran-2-carbonyl)-N-[(2-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 86880960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).