N-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide

C20H30N4O2 — CID 26408456

IUPACN-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccnn1C1CCN(C(=O)[C@H]2CC=CCC2)CC1
InChIInChI=1S/C20H30N4O2/c1-20(2,3)19(26)22-17-9-12-21-24(17)16-10-13-23(14-11-16)18(25)15-7-5-4-6-8-15/h4-5,9,12,15-16H,6-8,10-11,13-14H2,1-3H3,(H,22,26)/t15-/m0/s1
InChIKeyREZXFSSUMHRTCO-HNNXBMFYSA-N
MW358.49 g/mol
LogP3.39
Rot. Bonds3

About N-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide

N-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide (PubChem CID 26408456) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide
PubChem CID26408456
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccnn1C1CCN(C(=O)[C@H]2CC=CCC2)CC1
InChIInChI=1S/C20H30N4O2/c1-20(2,3)19(26)22-17-9-12-21-24(17)16-10-13-23(14-11-16)18(25)15-7-5-4-6-8-15/h4-5,9,12,15-16H,6-8,10-11,13-14H2,1-3H3,(H,22,26)/t15-/m0/s1
InChIKeyREZXFSSUMHRTCO-HNNXBMFYSA-N
XLogP3.39
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

N-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
CID 42376458
2,2-dimethyl-N-[2-[1-(2-pyrrolidin-1-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide
CID 56755417
2,2-dimethyl-N-[2-[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide
CID 42557179
2,2-dimethyl-N-[2-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazol-3-yl]propanamide
CID 56740401
N-[2-[1-(2-amino-2-oxoethyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide
CID 56745480
2,2-dimethyl-N-[2-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide
CID 26316039
2,2-dimethyl-N-[2-[1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide
CID 25286412
2,2-dimethyl-N-[2-[1-[(2R)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]pyrazol-3-yl]propanamide
CID 42380475
2,2-dimethyl-N-[2-[1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide
CID 56739428
(2R)-N-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
CID 25452567
2,2-dimethyl-N-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide
CID 42522227
N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclohexanecarboxamide;2,2,2-trifluoroacetic acid
CID 44543677

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide (CID 26408456) is N-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccnn1C1CCN(C(=O)[C@H]2CC=CCC2)CC1.
What is the InChIKey of N-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide?
The InChIKey is REZXFSSUMHRTCO-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-20(2,3)19(26)22-17-9-12-21-24(17)16-10-13-23(14-11-16)18(25)15-7-5-4-6-8-15/h4-5,9,12,15-16H,6-8,10-11,13-14H2,1-3H3,(H,22,26)/t15-/m0/s1.
What are the key properties of N-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide?
N-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide has a molecular weight of 358.49 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 26408456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).