1H-imidazol-2-yl-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone

C13H22N4O — CID 164633874

IUPAC1H-imidazol-2-yl-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)C[C@H]1CN(C)CCN1C(=O)c1ncc[nH]1
InChIInChI=1S/C13H22N4O/c1-10(2)8-11-9-16(3)6-7-17(11)13(18)12-14-4-5-15-12/h4-5,10-11H,6-9H2,1-3H3,(H,14,15)/t11-/m0/s1
InChIKeyYRLSPGNXVQGXKC-NSHDSACASA-N
MW250.35 g/mol
LogP1.21
Rot. Bonds3

About 1H-imidazol-2-yl-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone

1H-imidazol-2-yl-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 164633874) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1H-imidazol-2-yl-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-imidazol-2-yl-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID164633874
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1H-imidazol-2-yl-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)C[C@H]1CN(C)CCN1C(=O)c1ncc[nH]1
InChIInChI=1S/C13H22N4O/c1-10(2)8-11-9-16(3)6-7-17(11)13(18)12-14-4-5-15-12/h4-5,10-11H,6-9H2,1-3H3,(H,14,15)/t11-/m0/s1
InChIKeyYRLSPGNXVQGXKC-NSHDSACASA-N
XLogP1.21
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-yl-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of 1H-imidazol-2-yl-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone (CID 164633874) is 1H-imidazol-2-yl-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1H-imidazol-2-yl-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for 1H-imidazol-2-yl-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)C[C@H]1CN(C)CCN1C(=O)c1ncc[nH]1.
What is the InChIKey of 1H-imidazol-2-yl-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is YRLSPGNXVQGXKC-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)8-11-9-16(3)6-7-17(11)13(18)12-14-4-5-15-12/h4-5,10-11H,6-9H2,1-3H3,(H,14,15)/t11-/m0/s1.
What are the key properties of 1H-imidazol-2-yl-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone?
1H-imidazol-2-yl-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 250.35 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-yl-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 164633874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).