2-(1-cyclopropylpiperidin-4-yl)-N-(1-phenylethyl)acetamide

C18H26N2O — CID 110754745

IUPAC2-(1-cyclopropylpiperidin-4-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CC1CCN(C2CC2)CC1)c1ccccc1
InChIInChI=1S/C18H26N2O/c1-14(16-5-3-2-4-6-16)19-18(21)13-15-9-11-20(12-10-15)17-7-8-17/h2-6,14-15,17H,7-13H2,1H3,(H,19,21)
InChIKeyQTLXGWBKWVTBNW-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.13
Rot. Bonds5

About 2-(1-cyclopropylpiperidin-4-yl)-N-(1-phenylethyl)acetamide

2-(1-cyclopropylpiperidin-4-yl)-N-(1-phenylethyl)acetamide (PubChem CID 110754745) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(1-cyclopropylpiperidin-4-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopropylpiperidin-4-yl)-N-(1-phenylethyl)acetamide
PubChem CID110754745
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-(1-cyclopropylpiperidin-4-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CC1CCN(C2CC2)CC1)c1ccccc1
InChIInChI=1S/C18H26N2O/c1-14(16-5-3-2-4-6-16)19-18(21)13-15-9-11-20(12-10-15)17-7-8-17/h2-6,14-15,17H,7-13H2,1H3,(H,19,21)
InChIKeyQTLXGWBKWVTBNW-UHFFFAOYSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylpiperidin-4-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(1-cyclopropylpiperidin-4-yl)-N-(1-phenylethyl)acetamide (CID 110754745) is 2-(1-cyclopropylpiperidin-4-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(1-cyclopropylpiperidin-4-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(1-cyclopropylpiperidin-4-yl)-N-(1-phenylethyl)acetamide is CC(NC(=O)CC1CCN(C2CC2)CC1)c1ccccc1.
What is the InChIKey of 2-(1-cyclopropylpiperidin-4-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is QTLXGWBKWVTBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14(16-5-3-2-4-6-16)19-18(21)13-15-9-11-20(12-10-15)17-7-8-17/h2-6,14-15,17H,7-13H2,1H3,(H,19,21).
What are the key properties of 2-(1-cyclopropylpiperidin-4-yl)-N-(1-phenylethyl)acetamide?
2-(1-cyclopropylpiperidin-4-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 286.42 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylpiperidin-4-yl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 110754745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).