(2S)-N-(2,6-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide

C20H25N3O3 — CID 9431836

IUPAC(2S)-N-(2,6-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
SMILESCc1cccc(C)c1NC(=O)[C@H](C)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H25N3O3/c1-14-6-4-7-15(2)18(14)21-19(24)16(3)22-9-11-23(12-10-22)20(25)17-8-5-13-26-17/h4-8,13,16H,9-12H2,1-3H3,(H,21,24)/t16-/m0/s1
InChIKeyNBNOZWPISDBVPE-INIZCTEOSA-N
MW355.44 g/mol
LogP2.68
Rot. Bonds4

About (2S)-N-(2,6-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide

(2S)-N-(2,6-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide (PubChem CID 9431836) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (2S)-N-(2,6-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2,6-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
PubChem CID9431836
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(2S)-N-(2,6-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
SMILESCc1cccc(C)c1NC(=O)[C@H](C)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H25N3O3/c1-14-6-4-7-15(2)18(14)21-19(24)16(3)22-9-11-23(12-10-22)20(25)17-8-5-13-26-17/h4-8,13,16H,9-12H2,1-3H3,(H,21,24)/t16-/m0/s1
InChIKeyNBNOZWPISDBVPE-INIZCTEOSA-N
XLogP2.68
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 4881494
(2R)-N-(2,4-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 9431689
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)propanamide
CID 46162177
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 46744287
(2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 27154894
(2S)-N-[(2-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 37377039
2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-N-prop-2-enylpropanamide
CID 138379082
N-(2-ethyl-6-methylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 8932507
ethyl 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 3961833
(2R)-2-(4-acetylpiperazin-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9033789
2-(4-cyclopentylpiperazin-1-yl)-N-(2,6-dimethylphenyl)propanamide
CID 86928080
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 134062689

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,6-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(2,6-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide (CID 9431836) is (2S)-N-(2,6-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(2,6-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(2,6-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide is Cc1cccc(C)c1NC(=O)[C@H](C)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of (2S)-N-(2,6-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The InChIKey is NBNOZWPISDBVPE-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-6-4-7-15(2)18(14)21-19(24)16(3)22-9-11-23(12-10-22)20(25)17-8-5-13-26-17/h4-8,13,16H,9-12H2,1-3H3,(H,21,24)/t16-/m0/s1.
What are the key properties of (2S)-N-(2,6-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
(2S)-N-(2,6-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide has a molecular weight of 355.44 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,6-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 9431836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).