(2R)-4-(4-methoxyphenyl)-1-(6-methylpyrimidin-4-yl)piperazine-2-carboxamide

C17H21N5O2 — CID 95843290

IUPAC(2R)-4-(4-methoxyphenyl)-1-(6-methylpyrimidin-4-yl)piperazine-2-carboxamide
SMILESCOc1ccc(N2CCN(c3cc(C)ncn3)[C@@H](C(N)=O)C2)cc1
InChIInChI=1S/C17H21N5O2/c1-12-9-16(20-11-19-12)22-8-7-21(10-15(22)17(18)23)13-3-5-14(24-2)6-4-13/h3-6,9,11,15H,7-8,10H2,1-2H3,(H2,18,23)/t15-/m1/s1
InChIKeyJTHAFIYQBAEAGH-OAHLLOKOSA-N
MW327.39 g/mol
LogP0.97
Rot. Bonds4

About (2R)-4-(4-methoxyphenyl)-1-(6-methylpyrimidin-4-yl)piperazine-2-carboxamide

(2R)-4-(4-methoxyphenyl)-1-(6-methylpyrimidin-4-yl)piperazine-2-carboxamide (PubChem CID 95843290) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (2R)-4-(4-methoxyphenyl)-1-(6-methylpyrimidin-4-yl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-(4-methoxyphenyl)-1-(6-methylpyrimidin-4-yl)piperazine-2-carboxamide
PubChem CID95843290
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(2R)-4-(4-methoxyphenyl)-1-(6-methylpyrimidin-4-yl)piperazine-2-carboxamide
SMILESCOc1ccc(N2CCN(c3cc(C)ncn3)[C@@H](C(N)=O)C2)cc1
InChIInChI=1S/C17H21N5O2/c1-12-9-16(20-11-19-12)22-8-7-21(10-15(22)17(18)23)13-3-5-14(24-2)6-4-13/h3-6,9,11,15H,7-8,10H2,1-2H3,(H2,18,23)/t15-/m1/s1
InChIKeyJTHAFIYQBAEAGH-OAHLLOKOSA-N
XLogP0.97
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine
CID 163353209
4-(4-methoxyphenyl)-N-methyl-1-(2-methylpyrimidin-4-yl)piperazine-2-carboxamide
CID 110096017
1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 61225686
1-[[1-(4-fluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 110152315
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine
CID 108781304
(2S)-1-(2-amino-2-oxoethyl)-4-(4-methoxyphenyl)-N-methylpiperazine-2-carboxamide
CID 95821736
4-methoxy-6-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]pyrimidin-2-amine
CID 72895619
ethyl 2-(4-methoxyphenyl)-4-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine-5-carboxylate
CID 108773563
1-[2-(3-acetamido-4-methylanilino)-2-oxoethyl]-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 110152768
6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 173099499
(3-methoxyphenyl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755288
4-(2-methoxyphenoxy)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19139037

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-methoxyphenyl)-1-(6-methylpyrimidin-4-yl)piperazine-2-carboxamide?
The IUPAC name of (2R)-4-(4-methoxyphenyl)-1-(6-methylpyrimidin-4-yl)piperazine-2-carboxamide (CID 95843290) is (2R)-4-(4-methoxyphenyl)-1-(6-methylpyrimidin-4-yl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-4-(4-methoxyphenyl)-1-(6-methylpyrimidin-4-yl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-4-(4-methoxyphenyl)-1-(6-methylpyrimidin-4-yl)piperazine-2-carboxamide is COc1ccc(N2CCN(c3cc(C)ncn3)[C@@H](C(N)=O)C2)cc1.
What is the InChIKey of (2R)-4-(4-methoxyphenyl)-1-(6-methylpyrimidin-4-yl)piperazine-2-carboxamide?
The InChIKey is JTHAFIYQBAEAGH-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-9-16(20-11-19-12)22-8-7-21(10-15(22)17(18)23)13-3-5-14(24-2)6-4-13/h3-6,9,11,15H,7-8,10H2,1-2H3,(H2,18,23)/t15-/m1/s1.
What are the key properties of (2R)-4-(4-methoxyphenyl)-1-(6-methylpyrimidin-4-yl)piperazine-2-carboxamide?
(2R)-4-(4-methoxyphenyl)-1-(6-methylpyrimidin-4-yl)piperazine-2-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-methoxyphenyl)-1-(6-methylpyrimidin-4-yl)piperazine-2-carboxamide is sourced from PubChem (CID 95843290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).