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

C17H26N2O — CID 20752804

IUPACN-(1-tert-butyl-4-phenylpiperidin-4-yl)acetamide
SMILESCC(=O)NC1(c2ccccc2)CCN(C(C)(C)C)CC1
InChIInChI=1S/C17H26N2O/c1-14(20)18-17(15-8-6-5-7-9-15)10-12-19(13-11-17)16(2,3)4/h5-9H,10-13H2,1-4H3,(H,18,20)
InChIKeyWOKBKWAECKHPNM-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.91
Rot. Bonds2

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

N-(1-tert-butyl-4-phenylpiperidin-4-yl)acetamide (PubChem CID 20752804) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(1-tert-butyl-4-phenylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-tert-butyl-4-phenylpiperidin-4-yl)acetamide
PubChem CID20752804
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(1-tert-butyl-4-phenylpiperidin-4-yl)acetamide
SMILESCC(=O)NC1(c2ccccc2)CCN(C(C)(C)C)CC1
InChIInChI=1S/C17H26N2O/c1-14(20)18-17(15-8-6-5-7-9-15)10-12-19(13-11-17)16(2,3)4/h5-9H,10-13H2,1-4H3,(H,18,20)
InChIKeyWOKBKWAECKHPNM-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-4-phenylpiperidin-4-yl)acetamide?
The IUPAC name of N-(1-tert-butyl-4-phenylpiperidin-4-yl)acetamide (CID 20752804) is N-(1-tert-butyl-4-phenylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-(1-tert-butyl-4-phenylpiperidin-4-yl)acetamide?
The canonical SMILES for N-(1-tert-butyl-4-phenylpiperidin-4-yl)acetamide is CC(=O)NC1(c2ccccc2)CCN(C(C)(C)C)CC1.
What is the InChIKey of N-(1-tert-butyl-4-phenylpiperidin-4-yl)acetamide?
The InChIKey is WOKBKWAECKHPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14(20)18-17(15-8-6-5-7-9-15)10-12-19(13-11-17)16(2,3)4/h5-9H,10-13H2,1-4H3,(H,18,20).
What are the key properties of N-(1-tert-butyl-4-phenylpiperidin-4-yl)acetamide?
N-(1-tert-butyl-4-phenylpiperidin-4-yl)acetamide has a molecular weight of 274.41 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-4-phenylpiperidin-4-yl)acetamide is sourced from PubChem (CID 20752804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).