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

C27H42N4O3 — CID 54768833

IUPACN-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide
SMILESCc1cc2c(c(N3CCN(CCC4CCC(NC(=O)CC5CCOCC5)CC4)CC3)n1)CCO2
InChIInChI=1S/C27H42N4O3/c1-20-18-25-24(9-17-34-25)27(28-20)31-13-11-30(12-14-31)10-6-21-2-4-23(5-3-21)29-26(32)19-22-7-15-33-16-8-22/h18,21-23H,2-17,19H2,1H3,(H,29,32)
InChIKeyQGUAUKGVRXXHQV-UHFFFAOYSA-N
MW470.66 g/mol
LogP3.33
Rot. Bonds7

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

N-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide (PubChem CID 54768833) has the molecular formula C27H42N4O3 and a molecular weight of 470.66 g/mol. Its IUPAC name is N-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide
PubChem CID54768833
Molecular FormulaC27H42N4O3
Molecular Weight470.66 g/mol
Exact Mass470.33
IUPAC NameN-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide
SMILESCc1cc2c(c(N3CCN(CCC4CCC(NC(=O)CC5CCOCC5)CC4)CC3)n1)CCO2
InChIInChI=1S/C27H42N4O3/c1-20-18-25-24(9-17-34-25)27(28-20)31-13-11-30(12-14-31)10-6-21-2-4-23(5-3-21)29-26(32)19-22-7-15-33-16-8-22/h18,21-23H,2-17,19H2,1H3,(H,29,32)
InChIKeyQGUAUKGVRXXHQV-UHFFFAOYSA-N
XLogP3.33
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.66
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide with MolForge

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Related Compounds

CID 15005634
CID 15005634
CID 54768829
CID 54768829
CID 54768832
CID 54768832
CID 54769063
CID 54769063
CID 54769741
CID 54769741
CID 54769742
CID 54769742
CID 54769743
CID 54769743
CID 54769948
CID 54769948
CID 54769949
CID 54769949
CID 54769950
CID 54769950
CID 54769951
CID 54769951
CID 54770164
CID 54770164

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide (CID 54768833) is N-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide is Cc1cc2c(c(N3CCN(CCC4CCC(NC(=O)CC5CCOCC5)CC4)CC3)n1)CCO2.
What is the InChIKey of N-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide?
The InChIKey is QGUAUKGVRXXHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N4O3/c1-20-18-25-24(9-17-34-25)27(28-20)31-13-11-30(12-14-31)10-6-21-2-4-23(5-3-21)29-26(32)19-22-7-15-33-16-8-22/h18,21-23H,2-17,19H2,1H3,(H,29,32).
What are the key properties of N-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide?
N-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide has a molecular weight of 470.66 g/mol, XLogP of 3.33, 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-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 54768833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).