N-(furan-3-ylmethyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide

C14H23N3O2 — CID 80548872

IUPACN-(furan-3-ylmethyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
SMILESCN(Cc1ccoc1)C(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C14H23N3O2/c1-14(2,17-7-5-15-6-8-17)13(18)16(3)10-12-4-9-19-11-12/h4,9,11,15H,5-8,10H2,1-3H3
InChIKeyARMQVTMTCOCWDG-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.92
Rot. Bonds4

About N-(furan-3-ylmethyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide

N-(furan-3-ylmethyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide (PubChem CID 80548872) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
PubChem CID80548872
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(furan-3-ylmethyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
SMILESCN(Cc1ccoc1)C(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C14H23N3O2/c1-14(2,17-7-5-15-6-8-17)13(18)16(3)10-12-4-9-19-11-12/h4,9,11,15H,5-8,10H2,1-3H3
InChIKeyARMQVTMTCOCWDG-UHFFFAOYSA-N
XLogP0.92
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(furan-3-ylmethyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide (CID 80548872) is N-(furan-3-ylmethyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(furan-3-ylmethyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide is CN(Cc1ccoc1)C(=O)C(C)(C)N1CCNCC1.
What is the InChIKey of N-(furan-3-ylmethyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide?
The InChIKey is ARMQVTMTCOCWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,17-7-5-15-6-8-17)13(18)16(3)10-12-4-9-19-11-12/h4,9,11,15H,5-8,10H2,1-3H3.
What are the key properties of N-(furan-3-ylmethyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide?
N-(furan-3-ylmethyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide has a molecular weight of 265.36 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80548872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).