(2R)-N-(3-methyltriazol-4-yl)-5-oxo-2-phenylpiperazine-1-carboxamide

C14H16N6O2 — CID 164629630

IUPAC(2R)-N-(3-methyltriazol-4-yl)-5-oxo-2-phenylpiperazine-1-carboxamide
SMILESCn1nncc1NC(=O)N1CC(=O)NC[C@H]1c1ccccc1
InChIInChI=1S/C14H16N6O2/c1-19-12(8-16-18-19)17-14(22)20-9-13(21)15-7-11(20)10-5-3-2-4-6-10/h2-6,8,11H,7,9H2,1H3,(H,15,21)(H,17,22)/t11-/m0/s1
InChIKeyUUDHUTREOJIQAU-NSHDSACASA-N
MW300.32 g/mol
LogP0.52
Rot. Bonds2

About (2R)-N-(3-methyltriazol-4-yl)-5-oxo-2-phenylpiperazine-1-carboxamide

(2R)-N-(3-methyltriazol-4-yl)-5-oxo-2-phenylpiperazine-1-carboxamide (PubChem CID 164629630) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is (2R)-N-(3-methyltriazol-4-yl)-5-oxo-2-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-methyltriazol-4-yl)-5-oxo-2-phenylpiperazine-1-carboxamide
PubChem CID164629630
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name(2R)-N-(3-methyltriazol-4-yl)-5-oxo-2-phenylpiperazine-1-carboxamide
SMILESCn1nncc1NC(=O)N1CC(=O)NC[C@H]1c1ccccc1
InChIInChI=1S/C14H16N6O2/c1-19-12(8-16-18-19)17-14(22)20-9-13(21)15-7-11(20)10-5-3-2-4-6-10/h2-6,8,11H,7,9H2,1H3,(H,15,21)(H,17,22)/t11-/m0/s1
InChIKeyUUDHUTREOJIQAU-NSHDSACASA-N
XLogP0.52
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-methyltriazol-4-yl)-5-oxo-2-phenylpiperazine-1-carboxamide?
The IUPAC name of (2R)-N-(3-methyltriazol-4-yl)-5-oxo-2-phenylpiperazine-1-carboxamide (CID 164629630) is (2R)-N-(3-methyltriazol-4-yl)-5-oxo-2-phenylpiperazine-1-carboxamide.
What is the SMILES notation for (2R)-N-(3-methyltriazol-4-yl)-5-oxo-2-phenylpiperazine-1-carboxamide?
The canonical SMILES for (2R)-N-(3-methyltriazol-4-yl)-5-oxo-2-phenylpiperazine-1-carboxamide is Cn1nncc1NC(=O)N1CC(=O)NC[C@H]1c1ccccc1.
What is the InChIKey of (2R)-N-(3-methyltriazol-4-yl)-5-oxo-2-phenylpiperazine-1-carboxamide?
The InChIKey is UUDHUTREOJIQAU-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N6O2/c1-19-12(8-16-18-19)17-14(22)20-9-13(21)15-7-11(20)10-5-3-2-4-6-10/h2-6,8,11H,7,9H2,1H3,(H,15,21)(H,17,22)/t11-/m0/s1.
What are the key properties of (2R)-N-(3-methyltriazol-4-yl)-5-oxo-2-phenylpiperazine-1-carboxamide?
(2R)-N-(3-methyltriazol-4-yl)-5-oxo-2-phenylpiperazine-1-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methyltriazol-4-yl)-5-oxo-2-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 164629630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).