3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide

C18H28N4O3 — CID 91764725

IUPAC3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)N[C@H]1COC[C@@H]1N1CCCCC1
InChIInChI=1S/C18H28N4O3/c1-12-14(13(2)20-18(24)19-12)6-7-17(23)21-15-10-25-11-16(15)22-8-4-3-5-9-22/h15-16H,3-11H2,1-2H3,(H,21,23)(H,19,20,24)/t15-,16-/m0/s1
InChIKeyDCQVIMOQTFBUMZ-HOTGVXAUSA-N
MW348.45 g/mol
LogP0.69
Rot. Bonds5

About 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide

3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide (PubChem CID 91764725) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide
PubChem CID91764725
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)N[C@H]1COC[C@@H]1N1CCCCC1
InChIInChI=1S/C18H28N4O3/c1-12-14(13(2)20-18(24)19-12)6-7-17(23)21-15-10-25-11-16(15)22-8-4-3-5-9-22/h15-16H,3-11H2,1-2H3,(H,21,23)(H,19,20,24)/t15-,16-/m0/s1
InChIKeyDCQVIMOQTFBUMZ-HOTGVXAUSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide (CID 91764725) is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide is Cc1nc(=O)[nH]c(C)c1CCC(=O)N[C@H]1COC[C@@H]1N1CCCCC1.
What is the InChIKey of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide?
The InChIKey is DCQVIMOQTFBUMZ-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-12-14(13(2)20-18(24)19-12)6-7-17(23)21-15-10-25-11-16(15)22-8-4-3-5-9-22/h15-16H,3-11H2,1-2H3,(H,21,23)(H,19,20,24)/t15-,16-/m0/s1.
What are the key properties of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide?
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide has a molecular weight of 348.45 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide is sourced from PubChem (CID 91764725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).