N-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide;3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbaldehyde

C26H38N4O4 — CID 143609282

IUPACN-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide;3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbaldehyde
SMILESCC(NC(=O)c1ccc(N2CCN(C)CC2)cc1)C1CCCC1.O=CN1CCC2OCC(=O)C21
InChIInChI=1S/C19H29N3O.C7H9NO3/c1-15(16-5-3-4-6-16)20-19(23)17-7-9-18(10-8-17)22-13-11-21(2)12-14-22;9-4-8-2-1-6-7(8)5(10)3-11-6/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,20,23);4,6-7H,1-3H2
InChIKeyYYDSCVXPOSLBTO-UHFFFAOYSA-N
MW470.61 g/mol
LogP1.93
Rot. Bonds5

About N-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide;3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbaldehyde

N-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide;3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbaldehyde (PubChem CID 143609282) has the molecular formula C26H38N4O4 and a molecular weight of 470.61 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide;3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbaldehyde.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide;3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbaldehyde
PubChem CID143609282
Molecular FormulaC26H38N4O4
Molecular Weight470.61 g/mol
Exact Mass470.29
IUPAC NameN-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide;3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbaldehyde
SMILESCC(NC(=O)c1ccc(N2CCN(C)CC2)cc1)C1CCCC1.O=CN1CCC2OCC(=O)C21
InChIInChI=1S/C19H29N3O.C7H9NO3/c1-15(16-5-3-4-6-16)20-19(23)17-7-9-18(10-8-17)22-13-11-21(2)12-14-22;9-4-8-2-1-6-7(8)5(10)3-11-6/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,20,23);4,6-7H,1-3H2
InChIKeyYYDSCVXPOSLBTO-UHFFFAOYSA-N
XLogP1.93
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide;3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbaldehyde?
The IUPAC name of N-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide;3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbaldehyde (CID 143609282) is N-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide;3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbaldehyde.
What is the SMILES notation for N-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide;3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbaldehyde?
The canonical SMILES for N-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide;3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbaldehyde is CC(NC(=O)c1ccc(N2CCN(C)CC2)cc1)C1CCCC1.O=CN1CCC2OCC(=O)C21.
What is the InChIKey of N-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide;3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbaldehyde?
The InChIKey is YYDSCVXPOSLBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O.C7H9NO3/c1-15(16-5-3-4-6-16)20-19(23)17-7-9-18(10-8-17)22-13-11-21(2)12-14-22;9-4-8-2-1-6-7(8)5(10)3-11-6/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,20,23);4,6-7H,1-3H2.
What are the key properties of N-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide;3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbaldehyde?
N-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide;3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbaldehyde has a molecular weight of 470.61 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide;3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbaldehyde is sourced from PubChem (CID 143609282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).