N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(4-methylpiperazin-1-yl)benzamide

C31H44N6O2 — CID 54771736

IUPACN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)NC3CCC(CCN4CCN(c5nccc6c5CCO6)CC4)CC3)cc2)CC1
InChIInChI=1S/C31H44N6O2/c1-34-15-19-36(20-16-34)27-8-4-25(5-9-27)31(38)33-26-6-2-24(3-7-26)11-14-35-17-21-37(22-18-35)30-28-12-23-39-29(28)10-13-32-30/h4-5,8-10,13,24,26H,2-3,6-7,11-12,14-23H2,1H3,(H,33,38)
InChIKeyFNDLZQGZKLRGIU-UHFFFAOYSA-N
MW532.73 g/mol
LogP3.27
Rot. Bonds7

About N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(4-methylpiperazin-1-yl)benzamide

N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 54771736) has the molecular formula C31H44N6O2 and a molecular weight of 532.73 g/mol. Its IUPAC name is N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID54771736
Molecular FormulaC31H44N6O2
Molecular Weight532.73 g/mol
Exact Mass532.35
IUPAC NameN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)NC3CCC(CCN4CCN(c5nccc6c5CCO6)CC4)CC3)cc2)CC1
InChIInChI=1S/C31H44N6O2/c1-34-15-19-36(20-16-34)27-8-4-25(5-9-27)31(38)33-26-6-2-24(3-7-26)11-14-35-17-21-37(22-18-35)30-28-12-23-39-29(28)10-13-32-30/h4-5,8-10,13,24,26H,2-3,6-7,11-12,14-23H2,1H3,(H,33,38)
InChIKeyFNDLZQGZKLRGIU-UHFFFAOYSA-N
XLogP3.27
TPSA64.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.73
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(4-methylpiperazin-1-yl)benzamide (CID 54771736) is N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(4-methylpiperazin-1-yl)benzamide is CN1CCN(c2ccc(C(=O)NC3CCC(CCN4CCN(c5nccc6c5CCO6)CC4)CC3)cc2)CC1.
What is the InChIKey of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is FNDLZQGZKLRGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44N6O2/c1-34-15-19-36(20-16-34)27-8-4-25(5-9-27)31(38)33-26-6-2-24(3-7-26)11-14-35-17-21-37(22-18-35)30-28-12-23-39-29(28)10-13-32-30/h4-5,8-10,13,24,26H,2-3,6-7,11-12,14-23H2,1H3,(H,33,38).
What are the key properties of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(4-methylpiperazin-1-yl)benzamide?
N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 532.73 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 54771736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).