(2R)-N-(1-methylsulfonylpiperidin-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide

C15H26N4O3S — CID 97277858

IUPAC(2R)-N-(1-methylsulfonylpiperidin-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCC(C)c1nccn1[C@H](C)C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H26N4O3S/c1-11(2)14-16-7-10-19(14)12(3)15(20)17-13-5-8-18(9-6-13)23(4,21)22/h7,10-13H,5-6,8-9H2,1-4H3,(H,17,20)/t12-/m1/s1
InChIKeyKWUDBZUBZQVAAW-GFCCVEGCSA-N
MW342.47 g/mol
LogP1.11
Rot. Bonds5

About (2R)-N-(1-methylsulfonylpiperidin-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide

(2R)-N-(1-methylsulfonylpiperidin-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide (PubChem CID 97277858) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is (2R)-N-(1-methylsulfonylpiperidin-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(1-methylsulfonylpiperidin-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide
PubChem CID97277858
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name(2R)-N-(1-methylsulfonylpiperidin-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCC(C)c1nccn1[C@H](C)C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H26N4O3S/c1-11(2)14-16-7-10-19(14)12(3)15(20)17-13-5-8-18(9-6-13)23(4,21)22/h7,10-13H,5-6,8-9H2,1-4H3,(H,17,20)/t12-/m1/s1
InChIKeyKWUDBZUBZQVAAW-GFCCVEGCSA-N
XLogP1.11
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-methylsulfonylpiperidin-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The IUPAC name of (2R)-N-(1-methylsulfonylpiperidin-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide (CID 97277858) is (2R)-N-(1-methylsulfonylpiperidin-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(1-methylsulfonylpiperidin-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-(1-methylsulfonylpiperidin-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide is CC(C)c1nccn1[C@H](C)C(=O)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of (2R)-N-(1-methylsulfonylpiperidin-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The InChIKey is KWUDBZUBZQVAAW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-11(2)14-16-7-10-19(14)12(3)15(20)17-13-5-8-18(9-6-13)23(4,21)22/h7,10-13H,5-6,8-9H2,1-4H3,(H,17,20)/t12-/m1/s1.
What are the key properties of (2R)-N-(1-methylsulfonylpiperidin-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide?
(2R)-N-(1-methylsulfonylpiperidin-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide has a molecular weight of 342.47 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-methylsulfonylpiperidin-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide is sourced from PubChem (CID 97277858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).