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

C23H28N4O2 — CID 42376458

IUPACN-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)[C@H]2CC=CCC2)CC1
InChIInChI=1S/C23H28N4O2/c1-17-7-5-6-10-20(17)22(28)25-21-11-14-24-27(21)19-12-15-26(16-13-19)23(29)18-8-3-2-4-9-18/h2-3,5-7,10-11,14,18-19H,4,8-9,12-13,15-16H2,1H3,(H,25,28)/t18-/m0/s1
InChIKeyZZXKBTYAJZPUOY-SFHVURJKSA-N
MW392.50 g/mol
LogP3.96
Rot. Bonds4

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

N-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide (PubChem CID 42376458) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
PubChem CID42376458
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)[C@H]2CC=CCC2)CC1
InChIInChI=1S/C23H28N4O2/c1-17-7-5-6-10-20(17)22(28)25-21-11-14-24-27(21)19-12-15-26(16-13-19)23(29)18-8-3-2-4-9-18/h2-3,5-7,10-11,14,18-19H,4,8-9,12-13,15-16H2,1H3,(H,25,28)/t18-/m0/s1
InChIKeyZZXKBTYAJZPUOY-SFHVURJKSA-N
XLogP3.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide
CID 78793945
N-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide
CID 26408456
N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
CID 26332273
N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
CID 56749459
2-methyl-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 25447155
2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24793147
2-methyl-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24790620
2-chloro-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 24793136
(2R)-N-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
CID 25452567
2-methyl-N-[2-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42100254
2-methoxy-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 24817787
2-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 66675219

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-methylbenzamide?
The IUPAC name of N-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide (CID 42376458) is N-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide?
The canonical SMILES for N-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide is Cc1ccccc1C(=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-methylbenzamide?
The InChIKey is ZZXKBTYAJZPUOY-SFHVURJKSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-17-7-5-6-10-20(17)22(28)25-21-11-14-24-27(21)19-12-15-26(16-13-19)23(29)18-8-3-2-4-9-18/h2-3,5-7,10-11,14,18-19H,4,8-9,12-13,15-16H2,1H3,(H,25,28)/t18-/m0/s1.
What are the key properties of N-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide?
N-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide has a molecular weight of 392.50 g/mol, XLogP of 3.96, 4 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-methylbenzamide is sourced from PubChem (CID 42376458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).