N-(4-acetamido-1,3-dimethyl-2-phenylpiperidin-4-yl)acetamide

C17H25N3O2 — CID 604036

IUPACN-(4-acetamido-1,3-dimethyl-2-phenylpiperidin-4-yl)acetamide
SMILESCC(=O)NC1(NC(C)=O)CCN(C)C(c2ccccc2)C1C
InChIInChI=1S/C17H25N3O2/c1-12-16(15-8-6-5-7-9-15)20(4)11-10-17(12,18-13(2)21)19-14(3)22/h5-9,12,16H,10-11H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyMMURFEHJWKZFRH-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.67
Rot. Bonds3

About N-(4-acetamido-1,3-dimethyl-2-phenylpiperidin-4-yl)acetamide

N-(4-acetamido-1,3-dimethyl-2-phenylpiperidin-4-yl)acetamide (PubChem CID 604036) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(4-acetamido-1,3-dimethyl-2-phenylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamido-1,3-dimethyl-2-phenylpiperidin-4-yl)acetamide
PubChem CID604036
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-(4-acetamido-1,3-dimethyl-2-phenylpiperidin-4-yl)acetamide
SMILESCC(=O)NC1(NC(C)=O)CCN(C)C(c2ccccc2)C1C
InChIInChI=1S/C17H25N3O2/c1-12-16(15-8-6-5-7-9-15)20(4)11-10-17(12,18-13(2)21)19-14(3)22/h5-9,12,16H,10-11H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyMMURFEHJWKZFRH-UHFFFAOYSA-N
XLogP1.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-1,3-dimethyl-2-phenylpiperidin-4-yl)acetamide?
The IUPAC name of N-(4-acetamido-1,3-dimethyl-2-phenylpiperidin-4-yl)acetamide (CID 604036) is N-(4-acetamido-1,3-dimethyl-2-phenylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-(4-acetamido-1,3-dimethyl-2-phenylpiperidin-4-yl)acetamide?
The canonical SMILES for N-(4-acetamido-1,3-dimethyl-2-phenylpiperidin-4-yl)acetamide is CC(=O)NC1(NC(C)=O)CCN(C)C(c2ccccc2)C1C.
What is the InChIKey of N-(4-acetamido-1,3-dimethyl-2-phenylpiperidin-4-yl)acetamide?
The InChIKey is MMURFEHJWKZFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-16(15-8-6-5-7-9-15)20(4)11-10-17(12,18-13(2)21)19-14(3)22/h5-9,12,16H,10-11H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of N-(4-acetamido-1,3-dimethyl-2-phenylpiperidin-4-yl)acetamide?
N-(4-acetamido-1,3-dimethyl-2-phenylpiperidin-4-yl)acetamide has a molecular weight of 303.41 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-1,3-dimethyl-2-phenylpiperidin-4-yl)acetamide is sourced from PubChem (CID 604036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).