(3,5-dimethyl-4-phenylpiperazin-1-yl)-(furan-2-yl)methanone

C17H20N2O2 — CID 110602243

IUPAC(3,5-dimethyl-4-phenylpiperazin-1-yl)-(furan-2-yl)methanone
SMILESCC1CN(C(=O)c2ccco2)CC(C)N1c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-13-11-18(17(20)16-9-6-10-21-16)12-14(2)19(13)15-7-4-3-5-8-15/h3-10,13-14H,11-12H2,1-2H3
InChIKeyPVFLZROGUZVNTQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.02
Rot. Bonds2

About (3,5-dimethyl-4-phenylpiperazin-1-yl)-(furan-2-yl)methanone

(3,5-dimethyl-4-phenylpiperazin-1-yl)-(furan-2-yl)methanone (PubChem CID 110602243) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (3,5-dimethyl-4-phenylpiperazin-1-yl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-4-phenylpiperazin-1-yl)-(furan-2-yl)methanone
PubChem CID110602243
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(3,5-dimethyl-4-phenylpiperazin-1-yl)-(furan-2-yl)methanone
SMILESCC1CN(C(=O)c2ccco2)CC(C)N1c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-13-11-18(17(20)16-9-6-10-21-16)12-14(2)19(13)15-7-4-3-5-8-15/h3-10,13-14H,11-12H2,1-2H3
InChIKeyPVFLZROGUZVNTQ-UHFFFAOYSA-N
XLogP3.02
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
2-(furan-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 131641801
furan-2-yl-(2-methylaziridin-1-yl)methanone
CID 71425455
(3,5-dimethyl-4-phenylpiperazin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 110616585
furan-2-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185227
2-[1-(furan-2-carbonyl)azetidin-3-yl]acetic acid
CID 64605217
furan-2-yl-[2-methyl-6-(2-phenylethyl)morpholin-4-yl]methanone
CID 110707020
(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226
1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568035
(3,5-dimethyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 110662556
furan-2-yl-(3-methylpiperazin-1-yl)methanone
CID 64980953

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-4-phenylpiperazin-1-yl)-(furan-2-yl)methanone?
The IUPAC name of (3,5-dimethyl-4-phenylpiperazin-1-yl)-(furan-2-yl)methanone (CID 110602243) is (3,5-dimethyl-4-phenylpiperazin-1-yl)-(furan-2-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-4-phenylpiperazin-1-yl)-(furan-2-yl)methanone?
The canonical SMILES for (3,5-dimethyl-4-phenylpiperazin-1-yl)-(furan-2-yl)methanone is CC1CN(C(=O)c2ccco2)CC(C)N1c1ccccc1.
What is the InChIKey of (3,5-dimethyl-4-phenylpiperazin-1-yl)-(furan-2-yl)methanone?
The InChIKey is PVFLZROGUZVNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13-11-18(17(20)16-9-6-10-21-16)12-14(2)19(13)15-7-4-3-5-8-15/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of (3,5-dimethyl-4-phenylpiperazin-1-yl)-(furan-2-yl)methanone?
(3,5-dimethyl-4-phenylpiperazin-1-yl)-(furan-2-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-4-phenylpiperazin-1-yl)-(furan-2-yl)methanone is sourced from PubChem (CID 110602243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).