N-(2-phenoxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide

C17H21N5O2 — CID 18532694

IUPACN-(2-phenoxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(NCCOc1ccccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H21N5O2/c23-17(20-9-14-24-15-5-2-1-3-6-15)22-12-10-21(11-13-22)16-18-7-4-8-19-16/h1-8H,9-14H2,(H,20,23)
InChIKeyXCFSWZSJHZZNQS-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.39
Rot. Bonds5

About N-(2-phenoxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-(2-phenoxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 18532694) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID18532694
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-(2-phenoxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(NCCOc1ccccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H21N5O2/c23-17(20-9-14-24-15-5-2-1-3-6-15)22-12-10-21(11-13-22)16-18-7-4-8-19-16/h1-8H,9-14H2,(H,20,23)
InChIKeyXCFSWZSJHZZNQS-UHFFFAOYSA-N
XLogP1.39
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108883277
N-[2-(2,6-dimethylphenoxy)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 112973312
4-pyrimidin-2-yl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112974308
4-formyl-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 108887105
4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 108887102
N-(2-phenylethyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide
CID 119074881
N-[2-(3-fluorophenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 112970343
4-pyrimidin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide
CID 112975037
N-(2-propoxyethyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide
CID 121495669
4-phenyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide
CID 112975814
N-(2-phenoxyethyl)-4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 90627092
4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide
CID 108883110

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(2-phenoxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 18532694) is N-(2-phenoxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-phenoxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-phenoxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide is O=C(NCCOc1ccccc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-(2-phenoxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is XCFSWZSJHZZNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-17(20-9-14-24-15-5-2-1-3-6-15)22-12-10-21(11-13-22)16-18-7-4-8-19-16/h1-8H,9-14H2,(H,20,23).
What are the key properties of N-(2-phenoxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-(2-phenoxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 18532694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).