(2R)-1-acetyl-4-[3-(2-methoxyphenyl)propanoyl]piperazine-2-carboxamide

C17H23N3O4 — CID 125004165

IUPAC(2R)-1-acetyl-4-[3-(2-methoxyphenyl)propanoyl]piperazine-2-carboxamide
SMILESCOc1ccccc1CCC(=O)N1CCN(C(C)=O)[C@@H](C(N)=O)C1
InChIInChI=1S/C17H23N3O4/c1-12(21)20-10-9-19(11-14(20)17(18)23)16(22)8-7-13-5-3-4-6-15(13)24-2/h3-6,14H,7-11H2,1-2H3,(H2,18,23)/t14-/m1/s1
InChIKeySWTLSQILNSLVJB-CQSZACIVSA-N
MW333.39 g/mol
LogP0.17
Rot. Bonds5

About (2R)-1-acetyl-4-[3-(2-methoxyphenyl)propanoyl]piperazine-2-carboxamide

(2R)-1-acetyl-4-[3-(2-methoxyphenyl)propanoyl]piperazine-2-carboxamide (PubChem CID 125004165) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is (2R)-1-acetyl-4-[3-(2-methoxyphenyl)propanoyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-acetyl-4-[3-(2-methoxyphenyl)propanoyl]piperazine-2-carboxamide
PubChem CID125004165
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name(2R)-1-acetyl-4-[3-(2-methoxyphenyl)propanoyl]piperazine-2-carboxamide
SMILESCOc1ccccc1CCC(=O)N1CCN(C(C)=O)[C@@H](C(N)=O)C1
InChIInChI=1S/C17H23N3O4/c1-12(21)20-10-9-19(11-14(20)17(18)23)16(22)8-7-13-5-3-4-6-15(13)24-2/h3-6,14H,7-11H2,1-2H3,(H2,18,23)/t14-/m1/s1
InChIKeySWTLSQILNSLVJB-CQSZACIVSA-N
XLogP0.17
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-methoxyphenyl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide
CID 110086198
1-acetyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide
CID 110086044
(2S)-4-[3-(2-methoxyphenyl)propanoyl]-1-methylpiperazine-2-carboxylic acid
CID 95194118
methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate
CID 110365875
1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 56861948
3-(2-methoxyphenyl)-1-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]propan-1-one
CID 172890049
1-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 72901145
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-(2-methoxyphenyl)propan-1-one
CID 119635537
3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110755813
3-(2-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119488395
1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 18456289
1-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55471047

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-4-[3-(2-methoxyphenyl)propanoyl]piperazine-2-carboxamide?
The IUPAC name of (2R)-1-acetyl-4-[3-(2-methoxyphenyl)propanoyl]piperazine-2-carboxamide (CID 125004165) is (2R)-1-acetyl-4-[3-(2-methoxyphenyl)propanoyl]piperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-acetyl-4-[3-(2-methoxyphenyl)propanoyl]piperazine-2-carboxamide?
The canonical SMILES for (2R)-1-acetyl-4-[3-(2-methoxyphenyl)propanoyl]piperazine-2-carboxamide is COc1ccccc1CCC(=O)N1CCN(C(C)=O)[C@@H](C(N)=O)C1.
What is the InChIKey of (2R)-1-acetyl-4-[3-(2-methoxyphenyl)propanoyl]piperazine-2-carboxamide?
The InChIKey is SWTLSQILNSLVJB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-12(21)20-10-9-19(11-14(20)17(18)23)16(22)8-7-13-5-3-4-6-15(13)24-2/h3-6,14H,7-11H2,1-2H3,(H2,18,23)/t14-/m1/s1.
What are the key properties of (2R)-1-acetyl-4-[3-(2-methoxyphenyl)propanoyl]piperazine-2-carboxamide?
(2R)-1-acetyl-4-[3-(2-methoxyphenyl)propanoyl]piperazine-2-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-4-[3-(2-methoxyphenyl)propanoyl]piperazine-2-carboxamide is sourced from PubChem (CID 125004165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).