(2S)-4-(4-methoxyphenyl)-2-methyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-oxopiperazine-1-carboxamide

C20H25N3O4 — CID 126430620

IUPAC(2S)-4-(4-methoxyphenyl)-2-methyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-oxopiperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NCCc3ccc(C)o3)[C@@H](C)C2=O)cc1
InChIInChI=1S/C20H25N3O4/c1-14-4-7-18(27-14)10-11-21-20(25)22-12-13-23(19(24)15(22)2)16-5-8-17(26-3)9-6-16/h4-9,15H,10-13H2,1-3H3,(H,21,25)/t15-/m0/s1
InChIKeyQKDCHQBJBQVAFD-HNNXBMFYSA-N
MW371.44 g/mol
LogP2.59
Rot. Bonds5

About (2S)-4-(4-methoxyphenyl)-2-methyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-oxopiperazine-1-carboxamide

(2S)-4-(4-methoxyphenyl)-2-methyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-oxopiperazine-1-carboxamide (PubChem CID 126430620) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is (2S)-4-(4-methoxyphenyl)-2-methyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-4-(4-methoxyphenyl)-2-methyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-oxopiperazine-1-carboxamide
PubChem CID126430620
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name(2S)-4-(4-methoxyphenyl)-2-methyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-oxopiperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NCCc3ccc(C)o3)[C@@H](C)C2=O)cc1
InChIInChI=1S/C20H25N3O4/c1-14-4-7-18(27-14)10-11-21-20(25)22-12-13-23(19(24)15(22)2)16-5-8-17(26-3)9-6-16/h4-9,15H,10-13H2,1-3H3,(H,21,25)/t15-/m0/s1
InChIKeyQKDCHQBJBQVAFD-HNNXBMFYSA-N
XLogP2.59
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-4-(4-methoxyphenyl)-2-methyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-oxopiperazine-1-carboxamide with MolForge

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Related Compounds

(2R)-4-(4-methoxyphenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-oxopiperazine-1-carboxamide
CID 126434996
(2R)-4-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)-3-oxopiperazine-1-carboxamide
CID 93290901
(2S)-N-[3-(furan-2-yl)propyl]-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 125434982
(3S)-4-[2-(2-methoxyethoxy)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 97133156
1-(4-methoxyphenyl)-3-methyl-4-(3-morpholin-4-ylpropanoyl)piperazin-2-one
CID 70744346
(2S)-4-(3,4-dimethylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 93322045
(3S)-4-(5-chloro-2-methylbenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 97135197
2-methyl-3-oxo-4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide
CID 24716488
1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 42847321
1-(3-chloro-4-methylphenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036453
(3S)-1-(4-methoxyphenyl)-3-methyl-4-(thiophene-3-carbonyl)piperazin-2-one
CID 96579371
1-(4-methoxyphenyl)-3-methyl-4-[(2S)-pyrrolidine-2-carbonyl]piperazin-2-one
CID 141490582

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(4-methoxyphenyl)-2-methyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2S)-4-(4-methoxyphenyl)-2-methyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-oxopiperazine-1-carboxamide (CID 126430620) is (2S)-4-(4-methoxyphenyl)-2-methyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2S)-4-(4-methoxyphenyl)-2-methyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2S)-4-(4-methoxyphenyl)-2-methyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-oxopiperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)NCCc3ccc(C)o3)[C@@H](C)C2=O)cc1.
What is the InChIKey of (2S)-4-(4-methoxyphenyl)-2-methyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-oxopiperazine-1-carboxamide?
The InChIKey is QKDCHQBJBQVAFD-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-14-4-7-18(27-14)10-11-21-20(25)22-12-13-23(19(24)15(22)2)16-5-8-17(26-3)9-6-16/h4-9,15H,10-13H2,1-3H3,(H,21,25)/t15-/m0/s1.
What are the key properties of (2S)-4-(4-methoxyphenyl)-2-methyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-oxopiperazine-1-carboxamide?
(2S)-4-(4-methoxyphenyl)-2-methyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-oxopiperazine-1-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(4-methoxyphenyl)-2-methyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 126430620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).