4-(4-methoxyphenyl)-N-methyl-1-(2-methylpyrimidin-4-yl)piperazine-2-carboxamide

C18H23N5O2 — CID 110096017

IUPAC4-(4-methoxyphenyl)-N-methyl-1-(2-methylpyrimidin-4-yl)piperazine-2-carboxamide
SMILESCNC(=O)C1CN(c2ccc(OC)cc2)CCN1c1ccnc(C)n1
InChIInChI=1S/C18H23N5O2/c1-13-20-9-8-17(21-13)23-11-10-22(12-16(23)18(24)19-2)14-4-6-15(25-3)7-5-14/h4-9,16H,10-12H2,1-3H3,(H,19,24)
InChIKeyGYYDOXZREXRZRU-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.23
Rot. Bonds4

About 4-(4-methoxyphenyl)-N-methyl-1-(2-methylpyrimidin-4-yl)piperazine-2-carboxamide

4-(4-methoxyphenyl)-N-methyl-1-(2-methylpyrimidin-4-yl)piperazine-2-carboxamide (PubChem CID 110096017) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-methyl-1-(2-methylpyrimidin-4-yl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-methyl-1-(2-methylpyrimidin-4-yl)piperazine-2-carboxamide
PubChem CID110096017
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name4-(4-methoxyphenyl)-N-methyl-1-(2-methylpyrimidin-4-yl)piperazine-2-carboxamide
SMILESCNC(=O)C1CN(c2ccc(OC)cc2)CCN1c1ccnc(C)n1
InChIInChI=1S/C18H23N5O2/c1-13-20-9-8-17(21-13)23-11-10-22(12-16(23)18(24)19-2)14-4-6-15(25-3)7-5-14/h4-9,16H,10-12H2,1-3H3,(H,19,24)
InChIKeyGYYDOXZREXRZRU-UHFFFAOYSA-N
XLogP1.23
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.23
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-methyl-1-(2-methylpyrimidin-4-yl)piperazine-2-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-methyl-1-(2-methylpyrimidin-4-yl)piperazine-2-carboxamide (CID 110096017) is 4-(4-methoxyphenyl)-N-methyl-1-(2-methylpyrimidin-4-yl)piperazine-2-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-methyl-1-(2-methylpyrimidin-4-yl)piperazine-2-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-methyl-1-(2-methylpyrimidin-4-yl)piperazine-2-carboxamide is CNC(=O)C1CN(c2ccc(OC)cc2)CCN1c1ccnc(C)n1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-methyl-1-(2-methylpyrimidin-4-yl)piperazine-2-carboxamide?
The InChIKey is GYYDOXZREXRZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-20-9-8-17(21-13)23-11-10-22(12-16(23)18(24)19-2)14-4-6-15(25-3)7-5-14/h4-9,16H,10-12H2,1-3H3,(H,19,24).
What are the key properties of 4-(4-methoxyphenyl)-N-methyl-1-(2-methylpyrimidin-4-yl)piperazine-2-carboxamide?
4-(4-methoxyphenyl)-N-methyl-1-(2-methylpyrimidin-4-yl)piperazine-2-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-methyl-1-(2-methylpyrimidin-4-yl)piperazine-2-carboxamide is sourced from PubChem (CID 110096017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).