N-[2-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

C24H36N4O — CID 42305294

IUPACN-[2-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCC1(C)[C@H]2CC=C(CN3CCC(n4nccc4NC(=O)C4CCCC4)CC3)[C@@H]1C2
InChIInChI=1S/C24H36N4O/c1-24(2)19-8-7-18(21(24)15-19)16-27-13-10-20(11-14-27)28-22(9-12-25-28)26-23(29)17-5-3-4-6-17/h7,9,12,17,19-21H,3-6,8,10-11,13-16H2,1-2H3,(H,26,29)/t19-,21-/m0/s1
InChIKeyDJKZSCNOKOITFY-FPOVZHCZSA-N
MW396.58 g/mol
LogP4.64
Rot. Bonds5

About N-[2-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

N-[2-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (PubChem CID 42305294) has the molecular formula C24H36N4O and a molecular weight of 396.58 g/mol. Its IUPAC name is N-[2-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
PubChem CID42305294
Molecular FormulaC24H36N4O
Molecular Weight396.58 g/mol
Exact Mass396.29
IUPAC NameN-[2-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCC1(C)[C@H]2CC=C(CN3CCC(n4nccc4NC(=O)C4CCCC4)CC3)[C@@H]1C2
InChIInChI=1S/C24H36N4O/c1-24(2)19-8-7-18(21(24)15-19)16-27-13-10-20(11-14-27)28-22(9-12-25-28)26-23(29)17-5-3-4-6-17/h7,9,12,17,19-21H,3-6,8,10-11,13-16H2,1-2H3,(H,26,29)/t19-,21-/m0/s1
InChIKeyDJKZSCNOKOITFY-FPOVZHCZSA-N
XLogP4.64
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 54.64
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,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide with MolForge

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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-isopropyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 24794235
N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclohexanecarboxamide;2,2,2-trifluoroacetic acid
CID 44543677
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
N-[2-[1-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 26327196
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-(1-cyclopenten-1-ylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2,2-dimethylpropanamide
CID 42346225
N-[1-(1-{[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-4-piperidinyl)-1H-pyrazol-5-yl]-3-methylbutanamide
CID 42346738
N-[1-(1-{[(4S)-4-isopropenyl-1-cyclohexen-1-yl]methyl}-4-piperidinyl)-1H-pyrazol-5-yl]acetamide
CID 42567701
N-{1-[1-(1-cyclopenten-1-ylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopropanecarboxamide
CID 42594598

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (CID 42305294) is N-[2-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is CC1(C)[C@H]2CC=C(CN3CCC(n4nccc4NC(=O)C4CCCC4)CC3)[C@@H]1C2.
What is the InChIKey of N-[2-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The InChIKey is DJKZSCNOKOITFY-FPOVZHCZSA-N. The full InChI is InChI=1S/C24H36N4O/c1-24(2)19-8-7-18(21(24)15-19)16-27-13-10-20(11-14-27)28-22(9-12-25-28)26-23(29)17-5-3-4-6-17/h7,9,12,17,19-21H,3-6,8,10-11,13-16H2,1-2H3,(H,26,29)/t19-,21-/m0/s1.
What are the key properties of N-[2-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
N-[2-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide has a molecular weight of 396.58 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 42305294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).