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

C20H25N3O3 — CID 9431689

IUPAC(2R)-N-(2,4-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)N2CCN(C(=O)c3ccco3)CC2)c(C)c1
InChIInChI=1S/C20H25N3O3/c1-14-6-7-17(15(2)13-14)21-19(24)16(3)22-8-10-23(11-9-22)20(25)18-5-4-12-26-18/h4-7,12-13,16H,8-11H2,1-3H3,(H,21,24)/t16-/m1/s1
InChIKeyQRNZMERHPGPNET-MRXNPFEDSA-N
MW355.44 g/mol
LogP2.68
Rot. Bonds4

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

(2R)-N-(2,4-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide (PubChem CID 9431689) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (2R)-N-(2,4-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2,4-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
PubChem CID9431689
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(2R)-N-(2,4-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)N2CCN(C(=O)c3ccco3)CC2)c(C)c1
InChIInChI=1S/C20H25N3O3/c1-14-6-7-17(15(2)13-14)21-19(24)16(3)22-8-10-23(11-9-22)20(25)18-5-4-12-26-18/h4-7,12-13,16H,8-11H2,1-3H3,(H,21,24)/t16-/m1/s1
InChIKeyQRNZMERHPGPNET-MRXNPFEDSA-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
(2S)-N-(2,6-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 9431836
(2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 27154894
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 9275187
ethyl 4-[(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 9431101
(2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 9460338
(2S)-N-(2,5-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide
CID 9431677
(2R)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250150
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
[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911085
N-(2-amino-4-methylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108532723

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(2,4-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide (CID 9431689) is (2R)-N-(2,4-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(2,4-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(2,4-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide is Cc1ccc(NC(=O)[C@@H](C)N2CCN(C(=O)c3ccco3)CC2)c(C)c1.
What is the InChIKey of (2R)-N-(2,4-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The InChIKey is QRNZMERHPGPNET-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-6-7-17(15(2)13-14)21-19(24)16(3)22-8-10-23(11-9-22)20(25)18-5-4-12-26-18/h4-7,12-13,16H,8-11H2,1-3H3,(H,21,24)/t16-/m1/s1.
What are the key properties of (2R)-N-(2,4-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
(2R)-N-(2,4-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 (2R)-N-(2,4-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 9431689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).