(2R)-1-[3-(2-methoxyphenyl)propanoyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid

C19H22N4O4 — CID 95550232

IUPAC(2R)-1-[3-(2-methoxyphenyl)propanoyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
SMILESCOc1ccccc1CCC(=O)N1CCN(c2ncccn2)C[C@@H]1C(=O)O
InChIInChI=1S/C19H22N4O4/c1-27-16-6-3-2-5-14(16)7-8-17(24)23-12-11-22(13-15(23)18(25)26)19-20-9-4-10-21-19/h2-6,9-10,15H,7-8,11-13H2,1H3,(H,25,26)/t15-/m1/s1
InChIKeyIHKZUZZDBQTJIT-OAHLLOKOSA-N
MW370.41 g/mol
LogP1.22
Rot. Bonds6

About (2R)-1-[3-(2-methoxyphenyl)propanoyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid

(2R)-1-[3-(2-methoxyphenyl)propanoyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid (PubChem CID 95550232) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is (2R)-1-[3-(2-methoxyphenyl)propanoyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[3-(2-methoxyphenyl)propanoyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
PubChem CID95550232
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name(2R)-1-[3-(2-methoxyphenyl)propanoyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
SMILESCOc1ccccc1CCC(=O)N1CCN(c2ncccn2)C[C@@H]1C(=O)O
InChIInChI=1S/C19H22N4O4/c1-27-16-6-3-2-5-14(16)7-8-17(24)23-12-11-22(13-15(23)18(25)26)19-20-9-4-10-21-19/h2-6,9-10,15H,7-8,11-13H2,1H3,(H,25,26)/t15-/m1/s1
InChIKeyIHKZUZZDBQTJIT-OAHLLOKOSA-N
XLogP1.22
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-[3-(2-methoxyphenyl)propanoyl]-1-methylpiperazine-2-carboxylic acid
CID 95194118
3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110755813
1-[3-(2-methoxyphenyl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide
CID 110086198
(2R)-1-acetyl-4-[3-(2-methoxyphenyl)propanoyl]piperazine-2-carboxamide
CID 125004165
(2S)-1-[3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid
CID 124683442
1-[[2-(2-hydroxyethoxy)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
CID 56878669
2-[3-(2-methoxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 119212944
3-(2-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119488395
(2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 79034352
3-(2-methoxyphenyl)-1-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]propan-1-one
CID 172890049
1-imidazol-1-yl-3-(2-methoxyphenyl)propan-1-one
CID 82115600
4-[3-(2-methylphenyl)propanoyl]thiomorpholine-3-carboxylic acid
CID 82901281

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(2-methoxyphenyl)propanoyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid?
The IUPAC name of (2R)-1-[3-(2-methoxyphenyl)propanoyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid (CID 95550232) is (2R)-1-[3-(2-methoxyphenyl)propanoyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[3-(2-methoxyphenyl)propanoyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[3-(2-methoxyphenyl)propanoyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid is COc1ccccc1CCC(=O)N1CCN(c2ncccn2)C[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[3-(2-methoxyphenyl)propanoyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid?
The InChIKey is IHKZUZZDBQTJIT-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-27-16-6-3-2-5-14(16)7-8-17(24)23-12-11-22(13-15(23)18(25)26)19-20-9-4-10-21-19/h2-6,9-10,15H,7-8,11-13H2,1H3,(H,25,26)/t15-/m1/s1.
What are the key properties of (2R)-1-[3-(2-methoxyphenyl)propanoyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid?
(2R)-1-[3-(2-methoxyphenyl)propanoyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid has a molecular weight of 370.41 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(2-methoxyphenyl)propanoyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid is sourced from PubChem (CID 95550232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).