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

C26H33FN4O2 — CID 54770380

IUPACN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-fluorobenzamide
SMILESO=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C26H33FN4O2/c27-21-5-3-20(4-6-21)26(32)29-22-7-1-19(2-8-22)10-13-30-14-16-31(17-15-30)25-23-11-18-33-24(23)9-12-28-25/h3-6,9,12,19,22H,1-2,7-8,10-11,13-18H2,(H,29,32)
InChIKeyHQAMJNKOXUQUKS-UHFFFAOYSA-N
MW452.57 g/mol
LogP3.66
Rot. Bonds6

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

N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-fluorobenzamide (PubChem CID 54770380) has the molecular formula C26H33FN4O2 and a molecular weight of 452.57 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-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-fluorobenzamide
PubChem CID54770380
Molecular FormulaC26H33FN4O2
Molecular Weight452.57 g/mol
Exact Mass452.26
IUPAC NameN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-fluorobenzamide
SMILESO=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C26H33FN4O2/c27-21-5-3-20(4-6-21)26(32)29-22-7-1-19(2-8-22)10-13-30-14-16-31(17-15-30)25-23-11-18-33-24(23)9-12-28-25/h3-6,9,12,19,22H,1-2,7-8,10-11,13-18H2,(H,29,32)
InChIKeyHQAMJNKOXUQUKS-UHFFFAOYSA-N
XLogP3.66
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.57
LogP ≤ 53.66
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-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-fluorobenzamide?
The IUPAC name of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-fluorobenzamide (CID 54770380) is N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-fluorobenzamide.
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-fluorobenzamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-fluorobenzamide is O=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(F)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-fluorobenzamide?
The InChIKey is HQAMJNKOXUQUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN4O2/c27-21-5-3-20(4-6-21)26(32)29-22-7-1-19(2-8-22)10-13-30-14-16-31(17-15-30)25-23-11-18-33-24(23)9-12-28-25/h3-6,9,12,19,22H,1-2,7-8,10-11,13-18H2,(H,29,32).
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-fluorobenzamide?
N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-fluorobenzamide has a molecular weight of 452.57 g/mol, XLogP of 3.66, 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-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-fluorobenzamide is sourced from PubChem (CID 54770380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).