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

C26H36N4O5 — CID 143609073

IUPACN-[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
SMILESCCCN1CCN(c2ccc(C(=O)NC3(C(=O)N4C[C@@H](O)[C@H]5OCC(=O)[C@H]54)CCCC3)cc2)CC1
InChIInChI=1S/C26H36N4O5/c1-2-11-28-12-14-29(15-13-28)19-7-5-18(6-8-19)24(33)27-26(9-3-4-10-26)25(34)30-16-20(31)23-22(30)21(32)17-35-23/h5-8,20,22-23,31H,2-4,9-17H2,1H3,(H,27,33)/t20-,22-,23-/m1/s1
InChIKeyBTSPXTGWJNVUHQ-YMPZKCBVSA-N
MW484.60 g/mol
LogP0.80
Rot. Bonds6

About 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

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 (PubChem CID 143609073) has the molecular formula C26H36N4O5 and a molecular weight of 484.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID143609073
Molecular FormulaC26H36N4O5
Molecular Weight484.60 g/mol
Exact Mass484.27
IUPAC NameN-[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
SMILESCCCN1CCN(c2ccc(C(=O)NC3(C(=O)N4C[C@@H](O)[C@H]5OCC(=O)[C@H]54)CCCC3)cc2)CC1
InChIInChI=1S/C26H36N4O5/c1-2-11-28-12-14-29(15-13-28)19-7-5-18(6-8-19)24(33)27-26(9-3-4-10-26)25(34)30-16-20(31)23-22(30)21(32)17-35-23/h5-8,20,22-23,31H,2-4,9-17H2,1H3,(H,27,33)/t20-,22-,23-/m1/s1
InChIKeyBTSPXTGWJNVUHQ-YMPZKCBVSA-N
XLogP0.80
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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-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,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-(4-methylpiperazin-1-yl)benzamide
CID 24891014
N-[1-[(3aS,6R,6aR)-6-amino-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-propylpiperidin-4-yl)benzamide
CID 143609091
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,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,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
N-[1-[(3aS,6S,6aS)-6-methylsulfanyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 143609080
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCN1CCN(c2ccc(C(=O)NC3(C(=O)N4C[C@@H](O)[C@H]5OCC(=O)[C@H]54)CCCC3)cc2)CC1.
What is the InChIKey of 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?
The InChIKey is BTSPXTGWJNVUHQ-YMPZKCBVSA-N. The full InChI is InChI=1S/C26H36N4O5/c1-2-11-28-12-14-29(15-13-28)19-7-5-18(6-8-19)24(33)27-26(9-3-4-10-26)25(34)30-16-20(31)23-22(30)21(32)17-35-23/h5-8,20,22-23,31H,2-4,9-17H2,1H3,(H,27,33)/t20-,22-,23-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 484.60 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143609073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).