(2R)-2-(methylamino)-2-phenyl-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone

C20H28N4O — CID 97270242

IUPAC(2R)-2-(methylamino)-2-phenyl-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
SMILESCN[C@@H](C(=O)N1CCC(c2nccn2C(C)C)CC1)c1ccccc1
InChIInChI=1S/C20H28N4O/c1-15(2)24-14-11-22-19(24)17-9-12-23(13-10-17)20(25)18(21-3)16-7-5-4-6-8-16/h4-8,11,14-15,17-18,21H,9-10,12-13H2,1-3H3/t18-/m1/s1
InChIKeyNKLZOLRAOIMQNJ-GOSISDBHSA-N
MW340.47 g/mol
LogP3.13
Rot. Bonds5

About (2R)-2-(methylamino)-2-phenyl-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone

(2R)-2-(methylamino)-2-phenyl-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 97270242) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is (2R)-2-(methylamino)-2-phenyl-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name(2R)-2-(methylamino)-2-phenyl-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
PubChem CID97270242
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name(2R)-2-(methylamino)-2-phenyl-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
SMILESCN[C@@H](C(=O)N1CCC(c2nccn2C(C)C)CC1)c1ccccc1
InChIInChI=1S/C20H28N4O/c1-15(2)24-14-11-22-19(24)17-9-12-23(13-10-17)20(25)18(21-3)16-7-5-4-6-8-16/h4-8,11,14-15,17-18,21H,9-10,12-13H2,1-3H3/t18-/m1/s1
InChIKeyNKLZOLRAOIMQNJ-GOSISDBHSA-N
XLogP3.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methylamino)-2-phenyl-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of (2R)-2-(methylamino)-2-phenyl-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone (CID 97270242) is (2R)-2-(methylamino)-2-phenyl-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for (2R)-2-(methylamino)-2-phenyl-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for (2R)-2-(methylamino)-2-phenyl-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone is CN[C@@H](C(=O)N1CCC(c2nccn2C(C)C)CC1)c1ccccc1.
What is the InChIKey of (2R)-2-(methylamino)-2-phenyl-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is NKLZOLRAOIMQNJ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H28N4O/c1-15(2)24-14-11-22-19(24)17-9-12-23(13-10-17)20(25)18(21-3)16-7-5-4-6-8-16/h4-8,11,14-15,17-18,21H,9-10,12-13H2,1-3H3/t18-/m1/s1.
What are the key properties of (2R)-2-(methylamino)-2-phenyl-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone?
(2R)-2-(methylamino)-2-phenyl-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 340.47 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methylamino)-2-phenyl-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 97270242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).