[1-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

C22H35N3O2 — CID 24817753

IUPAC[1-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCCc1ccc(CN2CCC(N3CCC(C(=O)N4CCCC4)CC3)CC2)o1
InChIInChI=1S/C22H35N3O2/c1-2-20-5-6-21(27-20)17-23-13-9-19(10-14-23)24-15-7-18(8-16-24)22(26)25-11-3-4-12-25/h5-6,18-19H,2-4,7-17H2,1H3
InChIKeyBXMRCXGGMABRPE-UHFFFAOYSA-N
MW373.54 g/mol
LogP3.14
Rot. Bonds5

About [1-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 24817753) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is [1-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID24817753
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name[1-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCCc1ccc(CN2CCC(N3CCC(C(=O)N4CCCC4)CC3)CC2)o1
InChIInChI=1S/C22H35N3O2/c1-2-20-5-6-21(27-20)17-23-13-9-19(10-14-23)24-15-7-18(8-16-24)22(26)25-11-3-4-12-25/h5-6,18-19H,2-4,7-17H2,1H3
InChIKeyBXMRCXGGMABRPE-UHFFFAOYSA-N
XLogP3.14
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 24817753) is [1-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is CCc1ccc(CN2CCC(N3CCC(C(=O)N4CCCC4)CC3)CC2)o1.
What is the InChIKey of [1-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is BXMRCXGGMABRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-2-20-5-6-21(27-20)17-23-13-9-19(10-14-23)24-15-7-18(8-16-24)22(26)25-11-3-4-12-25/h5-6,18-19H,2-4,7-17H2,1H3.
What are the key properties of [1-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 373.54 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 24817753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).