N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]cyclobutanecarboxamide

C19H23N5O — CID 122299328

IUPACN-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]cyclobutanecarboxamide
SMILESO=C(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)C1CCC1
InChIInChI=1S/C19H23N5O/c25-18(15-5-4-6-15)22-16-13-20-19(21-14-16)24-11-9-23(10-12-24)17-7-2-1-3-8-17/h1-3,7-8,13-15H,4-6,9-12H2,(H,22,25)
InChIKeyMHPKAIWWICZUOW-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.54
Rot. Bonds4

About N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]cyclobutanecarboxamide

N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]cyclobutanecarboxamide (PubChem CID 122299328) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]cyclobutanecarboxamide
PubChem CID122299328
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]cyclobutanecarboxamide
SMILESO=C(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)C1CCC1
InChIInChI=1S/C19H23N5O/c25-18(15-5-4-6-15)22-16-13-20-19(21-14-16)24-11-9-23(10-12-24)17-7-2-1-3-8-17/h1-3,7-8,13-15H,4-6,9-12H2,(H,22,25)
InChIKeyMHPKAIWWICZUOW-UHFFFAOYSA-N
XLogP2.54
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 91968160
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxane-4-carboxamide
CID 122299154
N-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149397
N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107320
N-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109261157
N-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109249567
1-(2-fluorophenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 71790143
N-[6-(2-oxo-3-phenylimidazolidin-1-yl)-3-pyridinyl]cyclobutanecarboxamide
CID 53187495
N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide
CID 1055992
2-phenyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide
CID 122299278
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide
CID 90545334

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]cyclobutanecarboxamide (CID 122299328) is N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]cyclobutanecarboxamide is O=C(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)C1CCC1.
What is the InChIKey of N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]cyclobutanecarboxamide?
The InChIKey is MHPKAIWWICZUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c25-18(15-5-4-6-15)22-16-13-20-19(21-14-16)24-11-9-23(10-12-24)17-7-2-1-3-8-17/h1-3,7-8,13-15H,4-6,9-12H2,(H,22,25).
What are the key properties of N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]cyclobutanecarboxamide?
N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]cyclobutanecarboxamide has a molecular weight of 337.43 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]cyclobutanecarboxamide is sourced from PubChem (CID 122299328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).