N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-piperidin-1-ylbutanamide

C15H24N4O3 — CID 72914259

IUPACN-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-piperidin-1-ylbutanamide
SMILESO=C(CCCN1CCCCC1)NCCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C15H24N4O3/c20-13(5-4-10-19-8-2-1-3-9-19)16-7-6-12-17-14(21)11-15(22)18-12/h11H,1-10H2,(H,16,20)(H2,17,18,21,22)
InChIKeyXXQSWHMHWMKAES-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.40
Rot. Bonds7

About N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-piperidin-1-ylbutanamide

N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-piperidin-1-ylbutanamide (PubChem CID 72914259) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-piperidin-1-ylbutanamide
PubChem CID72914259
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-piperidin-1-ylbutanamide
SMILESO=C(CCCN1CCCCC1)NCCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C15H24N4O3/c20-13(5-4-10-19-8-2-1-3-9-19)16-7-6-12-17-14(21)11-15(22)18-12/h11H,1-10H2,(H,16,20)(H2,17,18,21,22)
InChIKeyXXQSWHMHWMKAES-UHFFFAOYSA-N
XLogP0.40
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-piperidin-1-ylbutanamide (CID 72914259) is N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-piperidin-1-ylbutanamide is O=C(CCCN1CCCCC1)NCCc1nc(O)cc(=O)[nH]1.
What is the InChIKey of N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-piperidin-1-ylbutanamide?
The InChIKey is XXQSWHMHWMKAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c20-13(5-4-10-19-8-2-1-3-9-19)16-7-6-12-17-14(21)11-15(22)18-12/h11H,1-10H2,(H,16,20)(H2,17,18,21,22).
What are the key properties of N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-piperidin-1-ylbutanamide?
N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-piperidin-1-ylbutanamide has a molecular weight of 308.38 g/mol, XLogP of 0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 72914259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).