N-phenyl-2-pyrrolidin-1-yl-N-(1,2,5-trimethylpiperidin-4-yl)acetamide

C20H31N3O — CID 12661629

IUPACN-phenyl-2-pyrrolidin-1-yl-N-(1,2,5-trimethylpiperidin-4-yl)acetamide
SMILESCC1CN(C)C(C)CC1N(C(=O)CN1CCCC1)c1ccccc1
InChIInChI=1S/C20H31N3O/c1-16-14-21(3)17(2)13-19(16)23(18-9-5-4-6-10-18)20(24)15-22-11-7-8-12-22/h4-6,9-10,16-17,19H,7-8,11-15H2,1-3H3
InChIKeyGRMHMMSQBXWVSU-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.84
Rot. Bonds4

About N-phenyl-2-pyrrolidin-1-yl-N-(1,2,5-trimethylpiperidin-4-yl)acetamide

N-phenyl-2-pyrrolidin-1-yl-N-(1,2,5-trimethylpiperidin-4-yl)acetamide (PubChem CID 12661629) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-phenyl-2-pyrrolidin-1-yl-N-(1,2,5-trimethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-phenyl-2-pyrrolidin-1-yl-N-(1,2,5-trimethylpiperidin-4-yl)acetamide
PubChem CID12661629
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-phenyl-2-pyrrolidin-1-yl-N-(1,2,5-trimethylpiperidin-4-yl)acetamide
SMILESCC1CN(C)C(C)CC1N(C(=O)CN1CCCC1)c1ccccc1
InChIInChI=1S/C20H31N3O/c1-16-14-21(3)17(2)13-19(16)23(18-9-5-4-6-10-18)20(24)15-22-11-7-8-12-22/h4-6,9-10,16-17,19H,7-8,11-15H2,1-3H3
InChIKeyGRMHMMSQBXWVSU-UHFFFAOYSA-N
XLogP2.84
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-phenyl-2-pyrrolidin-1-yl-N-(1,2,5-trimethylpiperidin-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-pyrrolidin-1-yl-N-(1,2,5-trimethylpiperidin-4-yl)acetamide?
The IUPAC name of N-phenyl-2-pyrrolidin-1-yl-N-(1,2,5-trimethylpiperidin-4-yl)acetamide (CID 12661629) is N-phenyl-2-pyrrolidin-1-yl-N-(1,2,5-trimethylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-phenyl-2-pyrrolidin-1-yl-N-(1,2,5-trimethylpiperidin-4-yl)acetamide?
The canonical SMILES for N-phenyl-2-pyrrolidin-1-yl-N-(1,2,5-trimethylpiperidin-4-yl)acetamide is CC1CN(C)C(C)CC1N(C(=O)CN1CCCC1)c1ccccc1.
What is the InChIKey of N-phenyl-2-pyrrolidin-1-yl-N-(1,2,5-trimethylpiperidin-4-yl)acetamide?
The InChIKey is GRMHMMSQBXWVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-16-14-21(3)17(2)13-19(16)23(18-9-5-4-6-10-18)20(24)15-22-11-7-8-12-22/h4-6,9-10,16-17,19H,7-8,11-15H2,1-3H3.
What are the key properties of N-phenyl-2-pyrrolidin-1-yl-N-(1,2,5-trimethylpiperidin-4-yl)acetamide?
N-phenyl-2-pyrrolidin-1-yl-N-(1,2,5-trimethylpiperidin-4-yl)acetamide has a molecular weight of 329.49 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-pyrrolidin-1-yl-N-(1,2,5-trimethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 12661629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).