N-[2-[1-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

C23H36N4O — CID 26327196

IUPACN-[2-[1-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCC1=C(CCN2CCC(n3nccc3NC(=O)C3CC3)CC2)C(C)(C)CCC1
InChIInChI=1S/C23H36N4O/c1-17-5-4-12-23(2,3)20(17)11-16-26-14-9-19(10-15-26)27-21(8-13-24-27)25-22(28)18-6-7-18/h8,13,18-19H,4-7,9-12,14-16H2,1-3H3,(H,25,28)
InChIKeyDFYZHZCAKLLBKI-UHFFFAOYSA-N
MW384.57 g/mol
LogP4.79
Rot. Bonds6

About N-[2-[1-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

N-[2-[1-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 26327196) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is N-[2-[1-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID26327196
Molecular FormulaC23H36N4O
Molecular Weight384.57 g/mol
Exact Mass384.29
IUPAC NameN-[2-[1-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCC1=C(CCN2CCC(n3nccc3NC(=O)C3CC3)CC2)C(C)(C)CCC1
InChIInChI=1S/C23H36N4O/c1-17-5-4-12-23(2,3)20(17)11-16-26-14-9-19(10-15-26)27-21(8-13-24-27)25-22(28)18-6-7-18/h8,13,18-19H,4-7,9-12,14-16H2,1-3H3,(H,25,28)
InChIKeyDFYZHZCAKLLBKI-UHFFFAOYSA-N
XLogP4.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 54.79
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-{1-[1-(2,6-dimethyl-5-hepten-1-yl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopentanecarboxamide
CID 24818932
N-{1-[1-(1-cyclohexen-1-ylacetyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2,2-dimethylpropanamide
CID 25365653
N-[1-(1-{[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-4-piperidinyl)-1H-pyrazol-5-yl]cyclopropanecarboxamide
CID 25370656
3-methyl-N-(1-{1-[(2E)-2-methyl-2-buten-1-yl]-4-piperidinyl}-1H-pyrazol-5-yl)butanamide
CID 25454434
1-(2,2-dimethylpropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide
CID 30186298
N-{1-[1-(3-methyl-2-butenoyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopropanecarboxamide
CID 42119764
N-[2-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide
CID 42151618
N-(1-{1-[(1R*,2R*,4R*)-bicyclo[2.2.1]hept-5-en-2-ylcarbonyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-methylbutanamide
CID 42193242
N-{1-[1-(2-adamantyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2,2-dimethylpropanamide
CID 42209771
N-{1-[1-(3-cyclopentylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopropanecarboxamide
CID 42240033
N-[1-(1-{[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-4-piperidinyl)-1H-pyrazol-5-yl]cyclopentanecarboxamide
CID 42305294
N-{1-[1-(1-cyclopenten-1-ylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2,2-dimethylpropanamide
CID 42346225

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 26327196) is N-[2-[1-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is CC1=C(CCN2CCC(n3nccc3NC(=O)C3CC3)CC2)C(C)(C)CCC1.
What is the InChIKey of N-[2-[1-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is DFYZHZCAKLLBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O/c1-17-5-4-12-23(2,3)20(17)11-16-26-14-9-19(10-15-26)27-21(8-13-24-27)25-22(28)18-6-7-18/h8,13,18-19H,4-7,9-12,14-16H2,1-3H3,(H,25,28).
What are the key properties of N-[2-[1-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 384.57 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 26327196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).