3-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide

C22H25N3O2 — CID 30737698

IUPAC3-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide
SMILESO=C(CCN1CCN(Cc2ccco2)CC1)Nc1cccc2ccccc12
InChIInChI=1S/C22H25N3O2/c26-22(23-21-9-3-6-18-5-1-2-8-20(18)21)10-11-24-12-14-25(15-13-24)17-19-7-4-16-27-19/h1-9,16H,10-15,17H2,(H,23,26)
InChIKeyFFPPBIONPXHPKW-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.58
Rot. Bonds6

About 3-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide

3-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide (PubChem CID 30737698) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name3-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide
PubChem CID30737698
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide
SMILESO=C(CCN1CCN(Cc2ccco2)CC1)Nc1cccc2ccccc12
InChIInChI=1S/C22H25N3O2/c26-22(23-21-9-3-6-18-5-1-2-8-20(18)21)10-11-24-12-14-25(15-13-24)17-19-7-4-16-27-19/h1-9,16H,10-15,17H2,(H,23,26)
InChIKeyFFPPBIONPXHPKW-UHFFFAOYSA-N
XLogP3.58
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide?
The IUPAC name of 3-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide (CID 30737698) is 3-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 3-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 3-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide is O=C(CCN1CCN(Cc2ccco2)CC1)Nc1cccc2ccccc12.
What is the InChIKey of 3-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide?
The InChIKey is FFPPBIONPXHPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-22(23-21-9-3-6-18-5-1-2-8-20(18)21)10-11-24-12-14-25(15-13-24)17-19-7-4-16-27-19/h1-9,16H,10-15,17H2,(H,23,26).
What are the key properties of 3-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide?
3-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide has a molecular weight of 363.46 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 30737698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).