N-[(3R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]propanamide

C15H24N4O2 — CID 136667317

IUPACN-[(3R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]propanamide
SMILESCCC(=O)N[C@@H]1CCCN(Cc2nc(CC)cc(=O)[nH]2)C1
InChIInChI=1S/C15H24N4O2/c1-3-11-8-15(21)18-13(16-11)10-19-7-5-6-12(9-19)17-14(20)4-2/h8,12H,3-7,9-10H2,1-2H3,(H,17,20)(H,16,18,21)/t12-/m1/s1
InChIKeyXHUGJYNJUFPRIC-GFCCVEGCSA-N
MW292.38 g/mol
LogP0.82
Rot. Bonds5

About N-[(3R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]propanamide

N-[(3R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]propanamide (PubChem CID 136667317) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(3R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(3R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]propanamide
PubChem CID136667317
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[(3R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]propanamide
SMILESCCC(=O)N[C@@H]1CCCN(Cc2nc(CC)cc(=O)[nH]2)C1
InChIInChI=1S/C15H24N4O2/c1-3-11-8-15(21)18-13(16-11)10-19-7-5-6-12(9-19)17-14(20)4-2/h8,12H,3-7,9-10H2,1-2H3,(H,17,20)(H,16,18,21)/t12-/m1/s1
InChIKeyXHUGJYNJUFPRIC-GFCCVEGCSA-N
XLogP0.82
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]propanamide?
The IUPAC name of N-[(3R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]propanamide (CID 136667317) is N-[(3R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(3R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-[(3R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]propanamide is CCC(=O)N[C@@H]1CCCN(Cc2nc(CC)cc(=O)[nH]2)C1.
What is the InChIKey of N-[(3R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]propanamide?
The InChIKey is XHUGJYNJUFPRIC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-11-8-15(21)18-13(16-11)10-19-7-5-6-12(9-19)17-14(20)4-2/h8,12H,3-7,9-10H2,1-2H3,(H,17,20)(H,16,18,21)/t12-/m1/s1.
What are the key properties of N-[(3R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]propanamide?
N-[(3R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]propanamide has a molecular weight of 292.38 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 136667317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).