N-[1-[(3aS,6S,6aS)-6-ethoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide

C26H36N4O5 — CID 24891014

IUPACN-[1-[(3aS,6S,6aS)-6-ethoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCCO[C@H]1CN(C(=O)C2(NC(=O)c3ccc(N4CCN(C)CC4)cc3)CCCC2)[C@@H]2C(=O)CO[C@H]12
InChIInChI=1S/C26H36N4O5/c1-3-34-21-16-30(22-20(31)17-35-23(21)22)25(33)26(10-4-5-11-26)27-24(32)18-6-8-19(9-7-18)29-14-12-28(2)13-15-29/h6-9,21-23H,3-5,10-17H2,1-2H3,(H,27,32)/t21-,22+,23+/m0/s1
InChIKeyNVXCJWJORDIVIX-YTFSRNRJSA-N
MW484.60 g/mol
LogP1.06
Rot. Bonds6

About N-[1-[(3aS,6S,6aS)-6-ethoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide

N-[1-[(3aS,6S,6aS)-6-ethoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 24891014) has the molecular formula C26H36N4O5 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[1-[(3aS,6S,6aS)-6-ethoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-[(3aS,6S,6aS)-6-ethoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID24891014
Molecular FormulaC26H36N4O5
Molecular Weight484.60 g/mol
Exact Mass484.27
IUPAC NameN-[1-[(3aS,6S,6aS)-6-ethoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCCO[C@H]1CN(C(=O)C2(NC(=O)c3ccc(N4CCN(C)CC4)cc3)CCCC2)[C@@H]2C(=O)CO[C@H]12
InChIInChI=1S/C26H36N4O5/c1-3-34-21-16-30(22-20(31)17-35-23(21)22)25(33)26(10-4-5-11-26)27-24(32)18-6-8-19(9-7-18)29-14-12-28(2)13-15-29/h6-9,21-23H,3-5,10-17H2,1-2H3,(H,27,32)/t21-,22+,23+/m0/s1
InChIKeyNVXCJWJORDIVIX-YTFSRNRJSA-N
XLogP1.06
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[(3aS,6S,6aS)-6-ethoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide 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-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide
CID 143609149
N-[1-[(3aS,6S,6aS)-6-ethoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-cyclopropylpiperazin-1-yl)benzamide
CID 24891065
N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-ethylpiperazin-1-yl)benzamide
CID 143609144
N-[1-[(3aS,6S,6aS)-6-ethoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(1-cyclopropylpiperidin-4-yl)benzamide
CID 143608966
N-[1-[(3aS,6R,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-propylpiperazin-1-yl)benzamide
CID 143609073
N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-ethylpiperazin-1-yl)benzamide
CID 24891265
N-[1-[(3aS,6S,6aS)-6-ethoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 143609055
N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 143609053
N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-cyclobutylpiperazin-1-yl)benzamide
CID 143609041
N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-[4-(2-methoxyethyl)piperazin-1-yl]benzamide
CID 24891317
N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-methylpiperidin-4-yl)benzamide
CID 24891453
N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
CID 68685905

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3aS,6S,6aS)-6-ethoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-[1-[(3aS,6S,6aS)-6-ethoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide (CID 24891014) is N-[1-[(3aS,6S,6aS)-6-ethoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[1-[(3aS,6S,6aS)-6-ethoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[1-[(3aS,6S,6aS)-6-ethoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide is CCO[C@H]1CN(C(=O)C2(NC(=O)c3ccc(N4CCN(C)CC4)cc3)CCCC2)[C@@H]2C(=O)CO[C@H]12.
What is the InChIKey of N-[1-[(3aS,6S,6aS)-6-ethoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is NVXCJWJORDIVIX-YTFSRNRJSA-N. The full InChI is InChI=1S/C26H36N4O5/c1-3-34-21-16-30(22-20(31)17-35-23(21)22)25(33)26(10-4-5-11-26)27-24(32)18-6-8-19(9-7-18)29-14-12-28(2)13-15-29/h6-9,21-23H,3-5,10-17H2,1-2H3,(H,27,32)/t21-,22+,23+/m0/s1.
What are the key properties of N-[1-[(3aS,6S,6aS)-6-ethoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide?
N-[1-[(3aS,6S,6aS)-6-ethoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 484.60 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3aS,6S,6aS)-6-ethoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 24891014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).