4-[(2S)-4-[(4-imidazol-1-ylphenyl)methyl]morpholine-2-carbonyl]piperazin-2-one

C19H23N5O3 — CID 95880747

IUPAC4-[(2S)-4-[(4-imidazol-1-ylphenyl)methyl]morpholine-2-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)[C@@H]2CN(Cc3ccc(-n4ccnc4)cc3)CCO2)CCN1
InChIInChI=1S/C19H23N5O3/c25-18-13-23(8-6-21-18)19(26)17-12-22(9-10-27-17)11-15-1-3-16(4-2-15)24-7-5-20-14-24/h1-5,7,14,17H,6,8-13H2,(H,21,25)/t17-/m0/s1
InChIKeyFWXMOUWUIVXQNK-KRWDZBQOSA-N
MW369.43 g/mol
LogP0.03
Rot. Bonds4

About 4-[(2S)-4-[(4-imidazol-1-ylphenyl)methyl]morpholine-2-carbonyl]piperazin-2-one

4-[(2S)-4-[(4-imidazol-1-ylphenyl)methyl]morpholine-2-carbonyl]piperazin-2-one (PubChem CID 95880747) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 4-[(2S)-4-[(4-imidazol-1-ylphenyl)methyl]morpholine-2-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(2S)-4-[(4-imidazol-1-ylphenyl)methyl]morpholine-2-carbonyl]piperazin-2-one
PubChem CID95880747
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name4-[(2S)-4-[(4-imidazol-1-ylphenyl)methyl]morpholine-2-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)[C@@H]2CN(Cc3ccc(-n4ccnc4)cc3)CCO2)CCN1
InChIInChI=1S/C19H23N5O3/c25-18-13-23(8-6-21-18)19(26)17-12-22(9-10-27-17)11-15-1-3-16(4-2-15)24-7-5-20-14-24/h1-5,7,14,17H,6,8-13H2,(H,21,25)/t17-/m0/s1
InChIKeyFWXMOUWUIVXQNK-KRWDZBQOSA-N
XLogP0.03
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-4-[(4-imidazol-1-ylphenyl)methyl]morpholine-2-carbonyl]piperazin-2-one?
The IUPAC name of 4-[(2S)-4-[(4-imidazol-1-ylphenyl)methyl]morpholine-2-carbonyl]piperazin-2-one (CID 95880747) is 4-[(2S)-4-[(4-imidazol-1-ylphenyl)methyl]morpholine-2-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[(2S)-4-[(4-imidazol-1-ylphenyl)methyl]morpholine-2-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[(2S)-4-[(4-imidazol-1-ylphenyl)methyl]morpholine-2-carbonyl]piperazin-2-one is O=C1CN(C(=O)[C@@H]2CN(Cc3ccc(-n4ccnc4)cc3)CCO2)CCN1.
What is the InChIKey of 4-[(2S)-4-[(4-imidazol-1-ylphenyl)methyl]morpholine-2-carbonyl]piperazin-2-one?
The InChIKey is FWXMOUWUIVXQNK-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N5O3/c25-18-13-23(8-6-21-18)19(26)17-12-22(9-10-27-17)11-15-1-3-16(4-2-15)24-7-5-20-14-24/h1-5,7,14,17H,6,8-13H2,(H,21,25)/t17-/m0/s1.
What are the key properties of 4-[(2S)-4-[(4-imidazol-1-ylphenyl)methyl]morpholine-2-carbonyl]piperazin-2-one?
4-[(2S)-4-[(4-imidazol-1-ylphenyl)methyl]morpholine-2-carbonyl]piperazin-2-one has a molecular weight of 369.43 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-4-[(4-imidazol-1-ylphenyl)methyl]morpholine-2-carbonyl]piperazin-2-one is sourced from PubChem (CID 95880747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).