1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-4,4-dimethylpentan-3-one

C26H41N3O2 — CID 123864443

IUPAC1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-4,4-dimethylpentan-3-one
SMILESCC(C)(C)C(=O)CCC1CCC(CCN2CCN(c3nccc4c3OCC4)CC2)CC1
InChIInChI=1S/C26H41N3O2/c1-26(2,3)23(30)9-8-20-4-6-21(7-5-20)11-14-28-15-17-29(18-16-28)25-24-22(10-13-27-25)12-19-31-24/h10,13,20-21H,4-9,11-12,14-19H2,1-3H3
InChIKeyQAWABCOBDFALHT-UHFFFAOYSA-N
MW427.63 g/mol
LogP4.73
Rot. Bonds7

About 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-4,4-dimethylpentan-3-one

1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-4,4-dimethylpentan-3-one (PubChem CID 123864443) has the molecular formula C26H41N3O2 and a molecular weight of 427.63 g/mol. Its IUPAC name is 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-4,4-dimethylpentan-3-one
PubChem CID123864443
Molecular FormulaC26H41N3O2
Molecular Weight427.63 g/mol
Exact Mass427.32
IUPAC Name1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-4,4-dimethylpentan-3-one
SMILESCC(C)(C)C(=O)CCC1CCC(CCN2CCN(c3nccc4c3OCC4)CC2)CC1
InChIInChI=1S/C26H41N3O2/c1-26(2,3)23(30)9-8-20-4-6-21(7-5-20)11-14-28-15-17-29(18-16-28)25-24-22(10-13-27-25)12-19-31-24/h10,13,20-21H,4-9,11-12,14-19H2,1-3H3
InChIKeyQAWABCOBDFALHT-UHFFFAOYSA-N
XLogP4.73
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.63
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]pentan-2-one
CID 58045670
1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-(1-hydroxycyclobutyl)propan-2-one
CID 58045710
3-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea
CID 56592251
N-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-hydroxyacetamide
CID 56592511
2-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
CID 58045705
N-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]formamide
CID 86660876
N-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-[(3-hydroxy-3-methylbutanoyl)amino]benzamide
CID 56592852
N-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide
CID 56591914
1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-(4-fluorophenyl)sulfonylurea
CID 56592253
[1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] quinoline-4-carboxylate
CID 123298658
[1-carbamoyl-4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl] 5-morpholin-4-ylpyrazine-2-carboxylate
CID 123421286
N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]acetamide
CID 54769741

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-4,4-dimethylpentan-3-one?
The IUPAC name of 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-4,4-dimethylpentan-3-one (CID 123864443) is 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-4,4-dimethylpentan-3-one.
What is the SMILES notation for 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-4,4-dimethylpentan-3-one?
The canonical SMILES for 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-4,4-dimethylpentan-3-one is CC(C)(C)C(=O)CCC1CCC(CCN2CCN(c3nccc4c3OCC4)CC2)CC1.
What is the InChIKey of 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-4,4-dimethylpentan-3-one?
The InChIKey is QAWABCOBDFALHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O2/c1-26(2,3)23(30)9-8-20-4-6-21(7-5-20)11-14-28-15-17-29(18-16-28)25-24-22(10-13-27-25)12-19-31-24/h10,13,20-21H,4-9,11-12,14-19H2,1-3H3.
What are the key properties of 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-4,4-dimethylpentan-3-one?
1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-4,4-dimethylpentan-3-one has a molecular weight of 427.63 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-4,4-dimethylpentan-3-one is sourced from PubChem (CID 123864443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).