4H-furo[3,2-b]pyrrol-5-yl-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone

C19H28N4O2 — CID 154799932

IUPAC4H-furo[3,2-b]pyrrol-5-yl-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone
SMILESCC(C)N1CCN(C2CCN(C(=O)c3cc4occc4[nH]3)CC2)CC1
InChIInChI=1S/C19H28N4O2/c1-14(2)21-8-10-22(11-9-21)15-3-6-23(7-4-15)19(24)17-13-18-16(20-17)5-12-25-18/h5,12-15,20H,3-4,6-11H2,1-2H3
InChIKeyJRIJUPDWFFRVML-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.39
Rot. Bonds3

About 4H-furo[3,2-b]pyrrol-5-yl-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone

4H-furo[3,2-b]pyrrol-5-yl-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone (PubChem CID 154799932) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4H-furo[3,2-b]pyrrol-5-yl-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name4H-furo[3,2-b]pyrrol-5-yl-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone
PubChem CID154799932
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name4H-furo[3,2-b]pyrrol-5-yl-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone
SMILESCC(C)N1CCN(C2CCN(C(=O)c3cc4occc4[nH]3)CC2)CC1
InChIInChI=1S/C19H28N4O2/c1-14(2)21-8-10-22(11-9-21)15-3-6-23(7-4-15)19(24)17-13-18-16(20-17)5-12-25-18/h5,12-15,20H,3-4,6-11H2,1-2H3
InChIKeyJRIJUPDWFFRVML-UHFFFAOYSA-N
XLogP2.39
TPSA55.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4H-furo[3,2-b]pyrrol-5-yl-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of 4H-furo[3,2-b]pyrrol-5-yl-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone (CID 154799932) is 4H-furo[3,2-b]pyrrol-5-yl-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 4H-furo[3,2-b]pyrrol-5-yl-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for 4H-furo[3,2-b]pyrrol-5-yl-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone is CC(C)N1CCN(C2CCN(C(=O)c3cc4occc4[nH]3)CC2)CC1.
What is the InChIKey of 4H-furo[3,2-b]pyrrol-5-yl-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone?
The InChIKey is JRIJUPDWFFRVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14(2)21-8-10-22(11-9-21)15-3-6-23(7-4-15)19(24)17-13-18-16(20-17)5-12-25-18/h5,12-15,20H,3-4,6-11H2,1-2H3.
What are the key properties of 4H-furo[3,2-b]pyrrol-5-yl-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone?
4H-furo[3,2-b]pyrrol-5-yl-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone has a molecular weight of 344.46 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-furo[3,2-b]pyrrol-5-yl-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 154799932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).