(5S)-1-(2-methoxyethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one

C17H25N5O3 — CID 97154716

IUPAC(5S)-1-(2-methoxyethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one
SMILESCOCCN1C[C@@H](C(=O)N2CCN(c3ncccn3)CC2)CCC1=O
InChIInChI=1S/C17H25N5O3/c1-25-12-11-22-13-14(3-4-15(22)23)16(24)20-7-9-21(10-8-20)17-18-5-2-6-19-17/h2,5-6,14H,3-4,7-13H2,1H3/t14-/m0/s1
InChIKeyKXZWHWJDOUJOAU-AWEZNQCLSA-N
MW347.42 g/mol
LogP0.01
Rot. Bonds5

About (5S)-1-(2-methoxyethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one

(5S)-1-(2-methoxyethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one (PubChem CID 97154716) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is (5S)-1-(2-methoxyethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name(5S)-1-(2-methoxyethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one
PubChem CID97154716
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name(5S)-1-(2-methoxyethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one
SMILESCOCCN1C[C@@H](C(=O)N2CCN(c3ncccn3)CC2)CCC1=O
InChIInChI=1S/C17H25N5O3/c1-25-12-11-22-13-14(3-4-15(22)23)16(24)20-7-9-21(10-8-20)17-18-5-2-6-19-17/h2,5-6,14H,3-4,7-13H2,1H3/t14-/m0/s1
InChIKeyKXZWHWJDOUJOAU-AWEZNQCLSA-N
XLogP0.01
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5S)-1-(2-methoxyethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-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 (5S)-1-(2-methoxyethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one?
The IUPAC name of (5S)-1-(2-methoxyethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one (CID 97154716) is (5S)-1-(2-methoxyethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for (5S)-1-(2-methoxyethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one?
The canonical SMILES for (5S)-1-(2-methoxyethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one is COCCN1C[C@@H](C(=O)N2CCN(c3ncccn3)CC2)CCC1=O.
What is the InChIKey of (5S)-1-(2-methoxyethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one?
The InChIKey is KXZWHWJDOUJOAU-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-25-12-11-22-13-14(3-4-15(22)23)16(24)20-7-9-21(10-8-20)17-18-5-2-6-19-17/h2,5-6,14H,3-4,7-13H2,1H3/t14-/m0/s1.
What are the key properties of (5S)-1-(2-methoxyethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one?
(5S)-1-(2-methoxyethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one has a molecular weight of 347.42 g/mol, XLogP of 0.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(2-methoxyethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 97154716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).