N-tert-butyl-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide

C17H26N2O2 — CID 649927

IUPACN-tert-butyl-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide
SMILESCC(C)(C)NC(=O)CN1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-16(2,3)18-15(20)13-19-11-9-17(21,10-12-19)14-7-5-4-6-8-14/h4-8,21H,9-13H2,1-3H3,(H,18,20)
InChIKeyWYGILMKJORZQCF-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.88
Rot. Bonds3

About N-tert-butyl-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide

N-tert-butyl-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide (PubChem CID 649927) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-tert-butyl-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide
PubChem CID649927
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-tert-butyl-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide
SMILESCC(C)(C)NC(=O)CN1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-16(2,3)18-15(20)13-19-11-9-17(21,10-12-19)14-7-5-4-6-8-14/h4-8,21H,9-13H2,1-3H3,(H,18,20)
InChIKeyWYGILMKJORZQCF-UHFFFAOYSA-N
XLogP1.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-[Hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]urea
CID 2541146
[(4S,4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-piperazin-2-ylmethanone
CID 54587110
Piperidin-4-ol, 1-tert-butyl-3-methyl-4-phenyl-, cis-
CID 615965
2-[4-(4-Fluoro-phenyl)-4-hydroxy-piperidin-1-yl]-N-(2-methyl-cyclohexyl)-acetamide
CID 650020
N-Allyl-2-(4-hydroxy-4-phenyl-piperidin-1-yl)-acetamide
CID 650451
N-Allyl-2-[4-(4-fluoro-phenyl)-4-hydroxy-piperidin-1-yl]-acetamide
CID 653579
2-[4-Hydroxy-4-(3-trifluoromethyl-phenyl)-piperidin-1-yl]-N-phenethyl-acetamide
CID 3228837
Piperazine, 1-((4-hydroxy-4-phenyl-1-piperidinyl)acetyl)-4-(3-phenyl-2-propenyl)-, monohydrochloride, (E)-
CID 6448143
N-(4-Fluoro-benzyl)-2-[4-(4-fluoro-phenyl)-4-hydroxy-piperidin-1-yl]-acetamide
CID 646544
2-(4-Hydroxy-4-phenyl-piperidin-1-yl)-N-isopropyl-acetamide
CID 652677
2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-prop-2-enylacetamide
CID 3228760
N-tert-butyl-2-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 3228809

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide (CID 649927) is N-tert-butyl-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide is CC(C)(C)NC(=O)CN1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of N-tert-butyl-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide?
The InChIKey is WYGILMKJORZQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-16(2,3)18-15(20)13-19-11-9-17(21,10-12-19)14-7-5-4-6-8-14/h4-8,21H,9-13H2,1-3H3,(H,18,20).
What are the key properties of N-tert-butyl-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide?
N-tert-butyl-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide is sourced from PubChem (CID 649927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).