(2S)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetamide

C17H26N2O — CID 10540299

IUPAC(2S)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetamide
SMILESCC(C)(C)c1ccc([C@H](C(N)=O)[C@H]2CCCCN2)cc1
InChIInChI=1S/C17H26N2O/c1-17(2,3)13-9-7-12(8-10-13)15(16(18)20)14-6-4-5-11-19-14/h7-10,14-15,19H,4-6,11H2,1-3H3,(H2,18,20)/t14-,15+/m1/s1
InChIKeyKMXSLKSWEKRTKV-CABCVRRESA-N
MW274.41 g/mol
LogP2.70
Rot. Bonds3

About (2S)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetamide

(2S)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetamide (PubChem CID 10540299) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (2S)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetamide.

Molecular Properties

Compound Name(2S)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetamide
PubChem CID10540299
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(2S)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetamide
SMILESCC(C)(C)c1ccc([C@H](C(N)=O)[C@H]2CCCCN2)cc1
InChIInChI=1S/C17H26N2O/c1-17(2,3)13-9-7-12(8-10-13)15(16(18)20)14-6-4-5-11-19-14/h7-10,14-15,19H,4-6,11H2,1-3H3,(H2,18,20)/t14-,15+/m1/s1
InChIKeyKMXSLKSWEKRTKV-CABCVRRESA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetamide?
The IUPAC name of (2S)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetamide (CID 10540299) is (2S)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetamide.
What is the SMILES notation for (2S)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetamide?
The canonical SMILES for (2S)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetamide is CC(C)(C)c1ccc([C@H](C(N)=O)[C@H]2CCCCN2)cc1.
What is the InChIKey of (2S)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetamide?
The InChIKey is KMXSLKSWEKRTKV-CABCVRRESA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2,3)13-9-7-12(8-10-13)15(16(18)20)14-6-4-5-11-19-14/h7-10,14-15,19H,4-6,11H2,1-3H3,(H2,18,20)/t14-,15+/m1/s1.
What are the key properties of (2S)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetamide?
(2S)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetamide has a molecular weight of 274.41 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetamide is sourced from PubChem (CID 10540299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).