ethyl 4-[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]piperazine-1-carboxylate

C25H32N4O5 — CID 34215828

IUPACethyl 4-[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CN(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)CC1
InChIInChI=1S/C25H32N4O5/c1-2-33-25(32)29-13-11-28(12-14-29)23(30)18-27(17-22-4-3-15-34-22)16-19-5-7-20(8-6-19)24(31)26-21-9-10-21/h3-8,15,21H,2,9-14,16-18H2,1H3,(H,26,31)
InChIKeyYLTVVGQCQWLFAV-UHFFFAOYSA-N
MW468.55 g/mol
LogP2.47
Rot. Bonds9

About ethyl 4-[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]piperazine-1-carboxylate

ethyl 4-[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]piperazine-1-carboxylate (PubChem CID 34215828) has the molecular formula C25H32N4O5 and a molecular weight of 468.55 g/mol. Its IUPAC name is ethyl 4-[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]piperazine-1-carboxylate
PubChem CID34215828
Molecular FormulaC25H32N4O5
Molecular Weight468.55 g/mol
Exact Mass468.24
IUPAC Nameethyl 4-[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CN(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)CC1
InChIInChI=1S/C25H32N4O5/c1-2-33-25(32)29-13-11-28(12-14-29)23(30)18-27(17-22-4-3-15-34-22)16-19-5-7-20(8-6-19)24(31)26-21-9-10-21/h3-8,15,21H,2,9-14,16-18H2,1H3,(H,26,31)
InChIKeyYLTVVGQCQWLFAV-UHFFFAOYSA-N
XLogP2.47
TPSA95.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]piperazine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide
CID 34216526
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]methyl]benzamide
CID 34216601
4-[[(2-amino-2-oxoethyl)-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943139
N-cyclopropyl-4-[[[2-(2-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30798223
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]methyl]benzamide
CID 55591604
4-[[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 43061589
N-cyclopropyl-4-[[[2-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30798231
N-cyclopropyl-4-[[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 34944479
4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943710
2-[[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]amino]thiophene-3-carboxamide
CID 34943884
4-[[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 34941214
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]methyl]benzamide
CID 30798285

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]piperazine-1-carboxylate (CID 34215828) is ethyl 4-[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CN(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)CC1.
What is the InChIKey of ethyl 4-[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]piperazine-1-carboxylate?
The InChIKey is YLTVVGQCQWLFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O5/c1-2-33-25(32)29-13-11-28(12-14-29)23(30)18-27(17-22-4-3-15-34-22)16-19-5-7-20(8-6-19)24(31)26-21-9-10-21/h3-8,15,21H,2,9-14,16-18H2,1H3,(H,26,31).
What are the key properties of ethyl 4-[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]piperazine-1-carboxylate has a molecular weight of 468.55 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 34215828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).