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

C31H43N5O2 — CID 54770600

IUPACN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-piperidin-1-ylbenzamide
SMILESO=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C31H43N5O2/c37-31(25-6-10-27(11-7-25)35-16-2-1-3-17-35)33-26-8-4-24(5-9-26)13-18-34-19-21-36(22-20-34)30-28-14-23-38-29(28)12-15-32-30/h6-7,10-12,15,24,26H,1-5,8-9,13-14,16-23H2,(H,33,37)
InChIKeyUBLOWVVYFMMWMS-UHFFFAOYSA-N
MW517.72 g/mol
LogP4.51
Rot. Bonds7

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

N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-piperidin-1-ylbenzamide (PubChem CID 54770600) has the molecular formula C31H43N5O2 and a molecular weight of 517.72 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-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-piperidin-1-ylbenzamide
PubChem CID54770600
Molecular FormulaC31H43N5O2
Molecular Weight517.72 g/mol
Exact Mass517.34
IUPAC NameN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-piperidin-1-ylbenzamide
SMILESO=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C31H43N5O2/c37-31(25-6-10-27(11-7-25)35-16-2-1-3-17-35)33-26-8-4-24(5-9-26)13-18-34-19-21-36(22-20-34)30-28-14-23-38-29(28)12-15-32-30/h6-7,10-12,15,24,26H,1-5,8-9,13-14,16-23H2,(H,33,37)
InChIKeyUBLOWVVYFMMWMS-UHFFFAOYSA-N
XLogP4.51
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.72
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-piperidin-1-ylbenzamide 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-piperidin-1-ylbenzamide?
The IUPAC name of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-piperidin-1-ylbenzamide (CID 54770600) is N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-piperidin-1-ylbenzamide.
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-piperidin-1-ylbenzamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-piperidin-1-ylbenzamide is O=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(N2CCCCC2)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-piperidin-1-ylbenzamide?
The InChIKey is UBLOWVVYFMMWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N5O2/c37-31(25-6-10-27(11-7-25)35-16-2-1-3-17-35)33-26-8-4-24(5-9-26)13-18-34-19-21-36(22-20-34)30-28-14-23-38-29(28)12-15-32-30/h6-7,10-12,15,24,26H,1-5,8-9,13-14,16-23H2,(H,33,37).
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-piperidin-1-ylbenzamide?
N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-piperidin-1-ylbenzamide has a molecular weight of 517.72 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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-piperidin-1-ylbenzamide is sourced from PubChem (CID 54770600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).