3-methoxy-N-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide

C24H38N4O3 — CID 67125782

IUPAC3-methoxy-N-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide
SMILESCOCCC(=O)NC1CCC(CCN2CCN(c3nc(C)cc4c3CCO4)CC2)CC1
InChIInChI=1S/C24H38N4O3/c1-18-17-22-21(8-16-31-22)24(25-18)28-13-11-27(12-14-28)10-7-19-3-5-20(6-4-19)26-23(29)9-15-30-2/h17,19-20H,3-16H2,1-2H3,(H,26,29)
InChIKeyRCSLPJAWSBFTLD-UHFFFAOYSA-N
MW430.59 g/mol
LogP2.55
Rot. Bonds8

About 3-methoxy-N-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide

3-methoxy-N-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide (PubChem CID 67125782) has the molecular formula C24H38N4O3 and a molecular weight of 430.59 g/mol. Its IUPAC name is 3-methoxy-N-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide
PubChem CID67125782
Molecular FormulaC24H38N4O3
Molecular Weight430.59 g/mol
Exact Mass430.29
IUPAC Name3-methoxy-N-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide
SMILESCOCCC(=O)NC1CCC(CCN2CCN(c3nc(C)cc4c3CCO4)CC2)CC1
InChIInChI=1S/C24H38N4O3/c1-18-17-22-21(8-16-31-22)24(25-18)28-13-11-27(12-14-28)10-7-19-3-5-20(6-4-19)26-23(29)9-15-30-2/h17,19-20H,3-16H2,1-2H3,(H,26,29)
InChIKeyRCSLPJAWSBFTLD-UHFFFAOYSA-N
XLogP2.55
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide?
The IUPAC name of 3-methoxy-N-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide (CID 67125782) is 3-methoxy-N-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide.
What is the SMILES notation for 3-methoxy-N-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide?
The canonical SMILES for 3-methoxy-N-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide is COCCC(=O)NC1CCC(CCN2CCN(c3nc(C)cc4c3CCO4)CC2)CC1.
What is the InChIKey of 3-methoxy-N-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide?
The InChIKey is RCSLPJAWSBFTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O3/c1-18-17-22-21(8-16-31-22)24(25-18)28-13-11-27(12-14-28)10-7-19-3-5-20(6-4-19)26-23(29)9-15-30-2/h17,19-20H,3-16H2,1-2H3,(H,26,29).
What are the key properties of 3-methoxy-N-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide?
3-methoxy-N-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide has a molecular weight of 430.59 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide is sourced from PubChem (CID 67125782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).