(2S)-N-[3-(furan-2-yl)propyl]-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide

C20H25N3O4 — CID 125434982

IUPAC(2S)-N-[3-(furan-2-yl)propyl]-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
SMILESCOc1cccc(N2CCN(C(=O)NCCCc3ccco3)[C@@H](C)C2=O)c1
InChIInChI=1S/C20H25N3O4/c1-15-19(24)23(16-6-3-7-18(14-16)26-2)12-11-22(15)20(25)21-10-4-8-17-9-5-13-27-17/h3,5-7,9,13-15H,4,8,10-12H2,1-2H3,(H,21,25)/t15-/m0/s1
InChIKeyYTUYNAWLRMXBNI-HNNXBMFYSA-N
MW371.44 g/mol
LogP2.67
Rot. Bonds6

About (2S)-N-[3-(furan-2-yl)propyl]-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide

(2S)-N-[3-(furan-2-yl)propyl]-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide (PubChem CID 125434982) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is (2S)-N-[3-(furan-2-yl)propyl]-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(furan-2-yl)propyl]-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
PubChem CID125434982
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name(2S)-N-[3-(furan-2-yl)propyl]-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
SMILESCOc1cccc(N2CCN(C(=O)NCCCc3ccco3)[C@@H](C)C2=O)c1
InChIInChI=1S/C20H25N3O4/c1-15-19(24)23(16-6-3-7-18(14-16)26-2)12-11-22(15)20(25)21-10-4-8-17-9-5-13-27-17/h3,5-7,9,13-15H,4,8,10-12H2,1-2H3,(H,21,25)/t15-/m0/s1
InChIKeyYTUYNAWLRMXBNI-HNNXBMFYSA-N
XLogP2.67
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-N-[3-(furan-2-yl)propyl]-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide with MolForge

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Related Compounds

4-(3-methoxyphenyl)-2-methyl-3-oxo-N-[3-(triazol-1-yl)propyl]piperazine-1-carboxamide
CID 121499817
(2S)-4-(4-methoxyphenyl)-2-methyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-oxopiperazine-1-carboxamide
CID 126430620
(2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 126441036
4-(2,2-dimethylpropanoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 24715973
N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 46990759
(3R)-4-(2-methoxybenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 93322353
4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 46036252
1-(3-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 24715974
1-(3-methoxyphenyl)-3-methyl-4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-2-one
CID 46995780
(3R)-1-(3-methoxyphenyl)-3-methyl-4-[2-(4-methyl-1,4-diazepan-1-yl)acetyl]piperazin-2-one
CID 95130698
1-(3-methoxyphenyl)-3-methyl-4-(4-nitrobenzoyl)piperazin-2-one
CID 46036257
(2S)-4-(3,4-dimethylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 93322045

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(furan-2-yl)propyl]-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2S)-N-[3-(furan-2-yl)propyl]-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide (CID 125434982) is (2S)-N-[3-(furan-2-yl)propyl]-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2S)-N-[3-(furan-2-yl)propyl]-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2S)-N-[3-(furan-2-yl)propyl]-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide is COc1cccc(N2CCN(C(=O)NCCCc3ccco3)[C@@H](C)C2=O)c1.
What is the InChIKey of (2S)-N-[3-(furan-2-yl)propyl]-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
The InChIKey is YTUYNAWLRMXBNI-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-15-19(24)23(16-6-3-7-18(14-16)26-2)12-11-22(15)20(25)21-10-4-8-17-9-5-13-27-17/h3,5-7,9,13-15H,4,8,10-12H2,1-2H3,(H,21,25)/t15-/m0/s1.
What are the key properties of (2S)-N-[3-(furan-2-yl)propyl]-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
(2S)-N-[3-(furan-2-yl)propyl]-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(furan-2-yl)propyl]-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 125434982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).