N-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide

C21H32N4O2 — CID 25365653

IUPACN-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccnn1C1CCN(C(=O)CC2=CCCCC2)CC1
InChIInChI=1S/C21H32N4O2/c1-21(2,3)20(27)23-18-9-12-22-25(18)17-10-13-24(14-11-17)19(26)15-16-7-5-4-6-8-16/h7,9,12,17H,4-6,8,10-11,13-15H2,1-3H3,(H,23,27)
InChIKeyRDKDSLAHJXGTPS-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.92
Rot. Bonds4

About N-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide

N-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide (PubChem CID 25365653) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide
PubChem CID25365653
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccnn1C1CCN(C(=O)CC2=CCCCC2)CC1
InChIInChI=1S/C21H32N4O2/c1-21(2,3)20(27)23-18-9-12-22-25(18)17-10-13-24(14-11-17)19(26)15-16-7-5-4-6-8-16/h7,9,12,17H,4-6,8,10-11,13-15H2,1-3H3,(H,23,27)
InChIKeyRDKDSLAHJXGTPS-UHFFFAOYSA-N
XLogP3.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide (CID 25365653) is N-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccnn1C1CCN(C(=O)CC2=CCCCC2)CC1.
What is the InChIKey of N-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide?
The InChIKey is RDKDSLAHJXGTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-21(2,3)20(27)23-18-9-12-22-25(18)17-10-13-24(14-11-17)19(26)15-16-7-5-4-6-8-16/h7,9,12,17H,4-6,8,10-11,13-15H2,1-3H3,(H,23,27).
What are the key properties of N-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide?
N-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide has a molecular weight of 372.51 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 25365653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).