4-(3-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide

C16H19N5O3 — CID 138043019

IUPAC4-(3-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCN(c3cccc(O)c3)CC2)ncn1
InChIInChI=1S/C16H19N5O3/c1-24-15-10-14(17-11-18-15)19-16(23)21-7-5-20(6-8-21)12-3-2-4-13(22)9-12/h2-4,9-11,22H,5-8H2,1H3,(H,17,18,19,23)
InChIKeyOESUFSPLGSPXJM-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.54
Rot. Bonds3

About 4-(3-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide

4-(3-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 138043019) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID138043019
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name4-(3-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCN(c3cccc(O)c3)CC2)ncn1
InChIInChI=1S/C16H19N5O3/c1-24-15-10-14(17-11-18-15)19-16(23)21-7-5-20(6-8-21)12-3-2-4-13(22)9-12/h2-4,9-11,22H,5-8H2,1H3,(H,17,18,19,23)
InChIKeyOESUFSPLGSPXJM-UHFFFAOYSA-N
XLogP1.54
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(6-methoxypyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 121167441
N-(6-methoxypyrimidin-4-yl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide
CID 84601052
N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 78819248
4-(3-chlorophenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)piperazine-1-carboxamide
CID 136559298
N-(4,6-dimethyl-2-pyridinyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 86793401
4-(3-methoxyphenyl)-N-(6-propan-2-yloxypyridazin-3-yl)piperazine-1-carboxamide
CID 136541606
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833
2-(4-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide
CID 136562751
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
4-(3-hydroxyphenyl)-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 78819250
N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide
CID 18799531
4-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 108866738

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide (CID 138043019) is 4-(3-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide is COc1cc(NC(=O)N2CCN(c3cccc(O)c3)CC2)ncn1.
What is the InChIKey of 4-(3-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is OESUFSPLGSPXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-24-15-10-14(17-11-18-15)19-16(23)21-7-5-20(6-8-21)12-3-2-4-13(22)9-12/h2-4,9-11,22H,5-8H2,1H3,(H,17,18,19,23).
What are the key properties of 4-(3-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide?
4-(3-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 138043019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).