N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]cyclopropanecarboxamide

C23H32N4O2 — CID 54769296

IUPACN-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]cyclopropanecarboxamide
SMILESO=C(NC1CCC(CCN2CCN(c3nccc4occc34)CC2)CC1)C1CC1
InChIInChI=1S/C23H32N4O2/c28-23(18-3-4-18)25-19-5-1-17(2-6-19)8-11-26-12-14-27(15-13-26)22-20-9-16-29-21(20)7-10-24-22/h7,9-10,16-19H,1-6,8,11-15H2,(H,25,28)
InChIKeySVONVXKDHRPGFI-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.42
Rot. Bonds6

About N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]cyclopropanecarboxamide

N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]cyclopropanecarboxamide (PubChem CID 54769296) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]cyclopropanecarboxamide
PubChem CID54769296
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]cyclopropanecarboxamide
SMILESO=C(NC1CCC(CCN2CCN(c3nccc4occc34)CC2)CC1)C1CC1
InChIInChI=1S/C23H32N4O2/c28-23(18-3-4-18)25-19-5-1-17(2-6-19)8-11-26-12-14-27(15-13-26)22-20-9-16-29-21(20)7-10-24-22/h7,9-10,16-19H,1-6,8,11-15H2,(H,25,28)
InChIKeySVONVXKDHRPGFI-UHFFFAOYSA-N
XLogP3.42
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]cyclopropanecarboxamide (CID 54769296) is N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]cyclopropanecarboxamide is O=C(NC1CCC(CCN2CCN(c3nccc4occc34)CC2)CC1)C1CC1.
What is the InChIKey of N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]cyclopropanecarboxamide?
The InChIKey is SVONVXKDHRPGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c28-23(18-3-4-18)25-19-5-1-17(2-6-19)8-11-26-12-14-27(15-13-26)22-20-9-16-29-21(20)7-10-24-22/h7,9-10,16-19H,1-6,8,11-15H2,(H,25,28).
What are the key properties of N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]cyclopropanecarboxamide?
N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]cyclopropanecarboxamide has a molecular weight of 396.54 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]cyclopropanecarboxamide is sourced from PubChem (CID 54769296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).