3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]propanamide

C12H18ClN3O2 — CID 77080921

IUPAC3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]propanamide
SMILESNC(=O)CCN1CCN(Cc2ccc(Cl)o2)CC1
InChIInChI=1S/C12H18ClN3O2/c13-11-2-1-10(18-11)9-16-7-5-15(6-8-16)4-3-12(14)17/h1-2H,3-9H2,(H2,14,17)
InChIKeyIOYCQVPBQQLDIV-UHFFFAOYSA-N
MW271.75 g/mol
LogP0.93
Rot. Bonds5

About 3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]propanamide

3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]propanamide (PubChem CID 77080921) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]propanamide
PubChem CID77080921
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]propanamide
SMILESNC(=O)CCN1CCN(Cc2ccc(Cl)o2)CC1
InChIInChI=1S/C12H18ClN3O2/c13-11-2-1-10(18-11)9-16-7-5-15(6-8-16)4-3-12(14)17/h1-2H,3-9H2,(H2,14,17)
InChIKeyIOYCQVPBQQLDIV-UHFFFAOYSA-N
XLogP0.93
TPSA62.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of 3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]propanamide (CID 77080921) is 3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for 3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for 3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]propanamide is NC(=O)CCN1CCN(Cc2ccc(Cl)o2)CC1.
What is the InChIKey of 3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]propanamide?
The InChIKey is IOYCQVPBQQLDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c13-11-2-1-10(18-11)9-16-7-5-15(6-8-16)4-3-12(14)17/h1-2H,3-9H2,(H2,14,17).
What are the key properties of 3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]propanamide?
3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]propanamide has a molecular weight of 271.75 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 77080921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).