N-cyclopentyl-2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide

C17H28N4O2 — CID 53555283

IUPACN-cyclopentyl-2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide
SMILESCC1=CC(=NN1CC2CN(CCO2)CC(=O)NC3CCCC3)C
InChIInChI=1S/C17H28N4O2/c1-13-9-14(2)21(19-13)11-16-10-20(7-8-23-16)12-17(22)18-15-5-3-4-6-15/h9,15-16H,3-8,10-12H2,1-2H3,(H,18,22)
InChIKeyAIVCSANDPJSZAO-UHFFFAOYSA-N
MW320.40 g/mol
LogP1.30
Rot. Bonds5

About N-cyclopentyl-2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide

N-cyclopentyl-2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide (PubChem CID 53555283) has the molecular formula C17H28N4O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide
PubChem CID53555283
Molecular FormulaC17H28N4O2
Molecular Weight320.40 g/mol
Exact Mass320.22
IUPAC NameN-cyclopentyl-2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide
SMILESCC1=CC(=NN1CC2CN(CCO2)CC(=O)NC3CCCC3)C
InChIInChI=1S/C17H28N4O2/c1-13-9-14(2)21(19-13)11-16-10-20(7-8-23-16)12-17(22)18-15-5-3-4-6-15/h9,15-16H,3-8,10-12H2,1-2H3,(H,18,22)
InChIKeyAIVCSANDPJSZAO-UHFFFAOYSA-N
XLogP1.30
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity400

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide (CID 53555283) is N-cyclopentyl-2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide is CC1=CC(=NN1CC2CN(CCO2)CC(=O)NC3CCCC3)C.
What is the InChIKey of N-cyclopentyl-2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide?
The InChIKey is AIVCSANDPJSZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-9-14(2)21(19-13)11-16-10-20(7-8-23-16)12-17(22)18-15-5-3-4-6-15/h9,15-16H,3-8,10-12H2,1-2H3,(H,18,22).
What are the key properties of N-cyclopentyl-2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide?
N-cyclopentyl-2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide has a molecular weight of 320.40 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide is sourced from PubChem (CID 53555283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).