1-[(2S)-2-methyl-4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]pentan-1-one

C14H23N5O2 — CID 175951550

IUPAC1-[(2S)-2-methyl-4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(C(=O)c2cn(C)nn2)C[C@@H]1C
InChIInChI=1S/C14H23N5O2/c1-4-5-6-13(20)19-8-7-18(9-11(19)2)14(21)12-10-17(3)16-15-12/h10-11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyBZHWHYZSRNIRBO-NSHDSACASA-N
MW293.37 g/mol
LogP0.68
Rot. Bonds4

About 1-[(2S)-2-methyl-4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]pentan-1-one

1-[(2S)-2-methyl-4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]pentan-1-one (PubChem CID 175951550) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[(2S)-2-methyl-4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-methyl-4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]pentan-1-one
PubChem CID175951550
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-[(2S)-2-methyl-4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(C(=O)c2cn(C)nn2)C[C@@H]1C
InChIInChI=1S/C14H23N5O2/c1-4-5-6-13(20)19-8-7-18(9-11(19)2)14(21)12-10-17(3)16-15-12/h10-11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyBZHWHYZSRNIRBO-NSHDSACASA-N
XLogP0.68
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methyl-4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 1-[(2S)-2-methyl-4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]pentan-1-one (CID 175951550) is 1-[(2S)-2-methyl-4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[(2S)-2-methyl-4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 1-[(2S)-2-methyl-4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]pentan-1-one is CCCCC(=O)N1CCN(C(=O)c2cn(C)nn2)C[C@@H]1C.
What is the InChIKey of 1-[(2S)-2-methyl-4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]pentan-1-one?
The InChIKey is BZHWHYZSRNIRBO-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N5O2/c1-4-5-6-13(20)19-8-7-18(9-11(19)2)14(21)12-10-17(3)16-15-12/h10-11H,4-9H2,1-3H3/t11-/m0/s1.
What are the key properties of 1-[(2S)-2-methyl-4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]pentan-1-one?
1-[(2S)-2-methyl-4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]pentan-1-one has a molecular weight of 293.37 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methyl-4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 175951550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).