(2R)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-pyrimidin-2-ylpropanamide

C18H23N5O3 — CID 52531122

IUPAC(2R)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-pyrimidin-2-ylpropanamide
SMILESCc1cc(C(=O)N2CCN([C@H](C)C(=O)Nc3ncccn3)CC2)c(C)o1
InChIInChI=1S/C18H23N5O3/c1-12-11-15(14(3)26-12)17(25)23-9-7-22(8-10-23)13(2)16(24)21-18-19-5-4-6-20-18/h4-6,11,13H,7-10H2,1-3H3,(H,19,20,21,24)/t13-/m1/s1
InChIKeyXKYUXJGKPGEPDA-CYBMUJFWSA-N
MW357.41 g/mol
LogP1.47
Rot. Bonds4

About (2R)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-pyrimidin-2-ylpropanamide

(2R)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-pyrimidin-2-ylpropanamide (PubChem CID 52531122) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2R)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-pyrimidin-2-ylpropanamide
PubChem CID52531122
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name(2R)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-pyrimidin-2-ylpropanamide
SMILESCc1cc(C(=O)N2CCN([C@H](C)C(=O)Nc3ncccn3)CC2)c(C)o1
InChIInChI=1S/C18H23N5O3/c1-12-11-15(14(3)26-12)17(25)23-9-7-22(8-10-23)13(2)16(24)21-18-19-5-4-6-20-18/h4-6,11,13H,7-10H2,1-3H3,(H,19,20,21,24)/t13-/m1/s1
InChIKeyXKYUXJGKPGEPDA-CYBMUJFWSA-N
XLogP1.47
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
N-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methylpropanamide
CID 87018281
2-(4-propanoyl-1,4-diazepan-1-yl)-N-pyrimidin-2-ylpropanamide
CID 78904136
(2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 78802306
4-(2,5-dimethylfuran-3-carbonyl)-N-phenylpiperazine-1-carboxamide
CID 51276164
2-[4-(pyrimidin-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 62312091
N-pyrimidin-2-yl-2-(2,2,6,6-tetramethylmorpholin-4-yl)propanamide
CID 136534692
[4-(azetidin-3-yl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 66201170
2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51242524
(2,5-dimethylfuran-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 24981685
(2,5-dimethylfuran-3-yl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 47054755
(2,5-dimethylfuran-3-yl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113824

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-pyrimidin-2-ylpropanamide?
The IUPAC name of (2R)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-pyrimidin-2-ylpropanamide (CID 52531122) is (2R)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for (2R)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for (2R)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-pyrimidin-2-ylpropanamide is Cc1cc(C(=O)N2CCN([C@H](C)C(=O)Nc3ncccn3)CC2)c(C)o1.
What is the InChIKey of (2R)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-pyrimidin-2-ylpropanamide?
The InChIKey is XKYUXJGKPGEPDA-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-12-11-15(14(3)26-12)17(25)23-9-7-22(8-10-23)13(2)16(24)21-18-19-5-4-6-20-18/h4-6,11,13H,7-10H2,1-3H3,(H,19,20,21,24)/t13-/m1/s1.
What are the key properties of (2R)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-pyrimidin-2-ylpropanamide?
(2R)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-pyrimidin-2-ylpropanamide has a molecular weight of 357.41 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 52531122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).