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

C30H41N5O3 — CID 54770601

IUPACN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-morpholin-4-ylbenzamide
SMILESO=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C30H41N5O3/c36-30(24-3-7-26(8-4-24)34-18-21-37-22-19-34)32-25-5-1-23(2-6-25)10-13-33-14-16-35(17-15-33)29-27-11-20-38-28(27)9-12-31-29/h3-4,7-9,12,23,25H,1-2,5-6,10-11,13-22H2,(H,32,36)
InChIKeyWVPMAZJVALETCI-UHFFFAOYSA-N
MW519.69 g/mol
LogP3.35
Rot. Bonds7

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

N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-morpholin-4-ylbenzamide (PubChem CID 54770601) has the molecular formula C30H41N5O3 and a molecular weight of 519.69 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-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-morpholin-4-ylbenzamide
PubChem CID54770601
Molecular FormulaC30H41N5O3
Molecular Weight519.69 g/mol
Exact Mass519.32
IUPAC NameN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-morpholin-4-ylbenzamide
SMILESO=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C30H41N5O3/c36-30(24-3-7-26(8-4-24)34-18-21-37-22-19-34)32-25-5-1-23(2-6-25)10-13-33-14-16-35(17-15-33)29-27-11-20-38-28(27)9-12-31-29/h3-4,7-9,12,23,25H,1-2,5-6,10-11,13-22H2,(H,32,36)
InChIKeyWVPMAZJVALETCI-UHFFFAOYSA-N
XLogP3.35
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.69
LogP ≤ 53.35
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-morpholin-4-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-morpholin-4-ylbenzamide?
The IUPAC name of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-morpholin-4-ylbenzamide (CID 54770601) is N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-morpholin-4-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-morpholin-4-ylbenzamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-morpholin-4-ylbenzamide is O=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(N2CCOCC2)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-morpholin-4-ylbenzamide?
The InChIKey is WVPMAZJVALETCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N5O3/c36-30(24-3-7-26(8-4-24)34-18-21-37-22-19-34)32-25-5-1-23(2-6-25)10-13-33-14-16-35(17-15-33)29-27-11-20-38-28(27)9-12-31-29/h3-4,7-9,12,23,25H,1-2,5-6,10-11,13-22H2,(H,32,36).
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-morpholin-4-ylbenzamide?
N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-morpholin-4-ylbenzamide has a molecular weight of 519.69 g/mol, XLogP of 3.35, 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-morpholin-4-ylbenzamide is sourced from PubChem (CID 54770601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).