1-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one

C19H30N4O2 — CID 95891723

IUPAC1-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC[C@H](c2cc(N3CCOCC3)nc(C)n2)C1
InChIInChI=1S/C19H30N4O2/c1-3-4-7-19(24)23-8-5-6-16(14-23)17-13-18(21-15(2)20-17)22-9-11-25-12-10-22/h13,16H,3-12,14H2,1-2H3/t16-/m0/s1
InChIKeySABMEZCNDGXRQW-INIZCTEOSA-N
MW346.48 g/mol
LogP2.52
Rot. Bonds5

About 1-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one

1-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one (PubChem CID 95891723) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one
PubChem CID95891723
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC[C@H](c2cc(N3CCOCC3)nc(C)n2)C1
InChIInChI=1S/C19H30N4O2/c1-3-4-7-19(24)23-8-5-6-16(14-23)17-13-18(21-15(2)20-17)22-9-11-25-12-10-22/h13,16H,3-12,14H2,1-2H3/t16-/m0/s1
InChIKeySABMEZCNDGXRQW-INIZCTEOSA-N
XLogP2.52
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one?
The IUPAC name of 1-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one (CID 95891723) is 1-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 1-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one is CCCCC(=O)N1CCC[C@H](c2cc(N3CCOCC3)nc(C)n2)C1.
What is the InChIKey of 1-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one?
The InChIKey is SABMEZCNDGXRQW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-3-4-7-19(24)23-8-5-6-16(14-23)17-13-18(21-15(2)20-17)22-9-11-25-12-10-22/h13,16H,3-12,14H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one?
1-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one has a molecular weight of 346.48 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 95891723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).