N-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide

C22H28N4O3 — CID 56746896

IUPACN-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(C(=O)C2CCC2)CC1)c1ccccc1
InChIInChI=1S/C22H28N4O3/c1-29-20(16-6-3-2-4-7-16)21(27)24-19-10-13-23-26(19)18-11-14-25(15-12-18)22(28)17-8-5-9-17/h2-4,6-7,10,13,17-18,20H,5,8-9,11-12,14-15H2,1H3,(H,24,27)
InChIKeyPBDVEKLOROUYCR-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.17
Rot. Bonds6

About N-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide

N-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide (PubChem CID 56746896) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
PubChem CID56746896
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(C(=O)C2CCC2)CC1)c1ccccc1
InChIInChI=1S/C22H28N4O3/c1-29-20(16-6-3-2-4-7-16)21(27)24-19-10-13-23-26(19)18-11-14-25(15-12-18)22(28)17-8-5-9-17/h2-4,6-7,10,13,17-18,20H,5,8-9,11-12,14-15H2,1H3,(H,24,27)
InChIKeyPBDVEKLOROUYCR-UHFFFAOYSA-N
XLogP3.17
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide 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-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
The IUPAC name of N-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide (CID 56746896) is N-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide is COC(C(=O)Nc1ccnn1C1CCN(C(=O)C2CCC2)CC1)c1ccccc1.
What is the InChIKey of N-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
The InChIKey is PBDVEKLOROUYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-29-20(16-6-3-2-4-7-16)21(27)24-19-10-13-23-26(19)18-11-14-25(15-12-18)22(28)17-8-5-9-17/h2-4,6-7,10,13,17-18,20H,5,8-9,11-12,14-15H2,1H3,(H,24,27).
What are the key properties of N-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
N-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide has a molecular weight of 396.49 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 56746896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).