6-(2-methylpropyl)-2-oxo-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-1H-pyrimidine-4-carboxamide

C18H28N4O3 — CID 133267892

IUPAC6-(2-methylpropyl)-2-oxo-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)N[C@@H]2COC[C@H]2N2CCCCC2)nc(=O)[nH]1
InChIInChI=1S/C18H28N4O3/c1-12(2)8-13-9-14(21-18(24)19-13)17(23)20-15-10-25-11-16(15)22-6-4-3-5-7-22/h9,12,15-16H,3-8,10-11H2,1-2H3,(H,20,23)(H,19,21,24)/t15-,16-/m1/s1
InChIKeyRKEDXKQZCAHUBW-HZPDHXFCSA-N
MW348.45 g/mol
LogP0.95
Rot. Bonds5

About 6-(2-methylpropyl)-2-oxo-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-1H-pyrimidine-4-carboxamide

6-(2-methylpropyl)-2-oxo-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-1H-pyrimidine-4-carboxamide (PubChem CID 133267892) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 6-(2-methylpropyl)-2-oxo-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methylpropyl)-2-oxo-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-1H-pyrimidine-4-carboxamide
PubChem CID133267892
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name6-(2-methylpropyl)-2-oxo-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)N[C@@H]2COC[C@H]2N2CCCCC2)nc(=O)[nH]1
InChIInChI=1S/C18H28N4O3/c1-12(2)8-13-9-14(21-18(24)19-13)17(23)20-15-10-25-11-16(15)22-6-4-3-5-7-22/h9,12,15-16H,3-8,10-11H2,1-2H3,(H,20,23)(H,19,21,24)/t15-,16-/m1/s1
InChIKeyRKEDXKQZCAHUBW-HZPDHXFCSA-N
XLogP0.95
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-2-oxo-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-methylpropyl)-2-oxo-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-1H-pyrimidine-4-carboxamide (CID 133267892) is 6-(2-methylpropyl)-2-oxo-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-methylpropyl)-2-oxo-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-methylpropyl)-2-oxo-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-1H-pyrimidine-4-carboxamide is CC(C)Cc1cc(C(=O)N[C@@H]2COC[C@H]2N2CCCCC2)nc(=O)[nH]1.
What is the InChIKey of 6-(2-methylpropyl)-2-oxo-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-1H-pyrimidine-4-carboxamide?
The InChIKey is RKEDXKQZCAHUBW-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-12(2)8-13-9-14(21-18(24)19-13)17(23)20-15-10-25-11-16(15)22-6-4-3-5-7-22/h9,12,15-16H,3-8,10-11H2,1-2H3,(H,20,23)(H,19,21,24)/t15-,16-/m1/s1.
What are the key properties of 6-(2-methylpropyl)-2-oxo-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-1H-pyrimidine-4-carboxamide?
6-(2-methylpropyl)-2-oxo-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-1H-pyrimidine-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-2-oxo-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 133267892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).