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

C27H36N4O4 — CID 24891057

IUPACN-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-cyclobutylpiperazin-1-yl)benzamide
SMILESO=C(NC1(C(=O)N2CC[C@H]3OCC(=O)[C@H]32)CCCC1)c1ccc(N2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C27H36N4O4/c32-22-18-35-23-10-13-31(24(22)23)26(34)27(11-1-2-12-27)28-25(33)19-6-8-21(9-7-19)30-16-14-29(15-17-30)20-4-3-5-20/h6-9,20,23-24H,1-5,10-18H2,(H,28,33)/t23-,24-/m1/s1
InChIKeyGGLIPGIHKXOWKX-DNQXCXABSA-N
MW480.61 g/mol
LogP1.97
Rot. Bonds5

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

N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-cyclobutylpiperazin-1-yl)benzamide (PubChem CID 24891057) has the molecular formula C27H36N4O4 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-cyclobutylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-cyclobutylpiperazin-1-yl)benzamide
PubChem CID24891057
Molecular FormulaC27H36N4O4
Molecular Weight480.61 g/mol
Exact Mass480.27
IUPAC NameN-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-cyclobutylpiperazin-1-yl)benzamide
SMILESO=C(NC1(C(=O)N2CC[C@H]3OCC(=O)[C@H]32)CCCC1)c1ccc(N2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C27H36N4O4/c32-22-18-35-23-10-13-31(24(22)23)26(34)27(11-1-2-12-27)28-25(33)19-6-8-21(9-7-19)30-16-14-29(15-17-30)20-4-3-5-20/h6-9,20,23-24H,1-5,10-18H2,(H,28,33)/t23-,24-/m1/s1
InChIKeyGGLIPGIHKXOWKX-DNQXCXABSA-N
XLogP1.97
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-cyclobutylpiperazin-1-yl)benzamide with MolForge

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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-cyclobutylpiperazin-1-yl)benzamide
CID 143609041
N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 24891220
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,6S,6aS)-6-azido-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-cyclopropylpiperazin-1-yl)benzamide
CID 143609141
N-[(2S)-1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-(4-cyclopropylpiperazin-1-yl)benzamide
CID 24782684
N-[(2S)-1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-(4-cyclopropylpiperazin-1-yl)benzamide
CID 24759822
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,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(1-cyclopropylpiperidin-4-yl)benzamide
CID 143608946
N-[1-[(3aS,6S,6aS)-6-azido-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-cyclobutylpiperidin-4-yl)benzamide
CID 143609004
N-[1-[(3aS,6S,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(1-cyclopropylpiperidin-4-yl)benzamide
CID 24891655
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,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

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-cyclobutylpiperazin-1-yl)benzamide?
The IUPAC name of N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-cyclobutylpiperazin-1-yl)benzamide (CID 24891057) is N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-cyclobutylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-cyclobutylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-cyclobutylpiperazin-1-yl)benzamide is O=C(NC1(C(=O)N2CC[C@H]3OCC(=O)[C@H]32)CCCC1)c1ccc(N2CCN(C3CCC3)CC2)cc1.
What is the InChIKey of N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-cyclobutylpiperazin-1-yl)benzamide?
The InChIKey is GGLIPGIHKXOWKX-DNQXCXABSA-N. The full InChI is InChI=1S/C27H36N4O4/c32-22-18-35-23-10-13-31(24(22)23)26(34)27(11-1-2-12-27)28-25(33)19-6-8-21(9-7-19)30-16-14-29(15-17-30)20-4-3-5-20/h6-9,20,23-24H,1-5,10-18H2,(H,28,33)/t23-,24-/m1/s1.
What are the key properties of N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-cyclobutylpiperazin-1-yl)benzamide?
N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-cyclobutylpiperazin-1-yl)benzamide has a molecular weight of 480.61 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-cyclobutylpiperazin-1-yl)benzamide is sourced from PubChem (CID 24891057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).