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

C22H32N4O — CID 25370656

IUPACN-[2-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCC1(C)[C@H]2CC=C(CN3CCC(n4nccc4NC(=O)C4CC4)CC3)[C@@H]1C2
InChIInChI=1S/C22H32N4O/c1-22(2)17-6-5-16(19(22)13-17)14-25-11-8-18(9-12-25)26-20(7-10-23-26)24-21(27)15-3-4-15/h5,7,10,15,17-19H,3-4,6,8-9,11-14H2,1-2H3,(H,24,27)/t17-,19-/m0/s1
InChIKeyVWHQXBIYUQHXPI-HKUYNNGSSA-N
MW368.53 g/mol
LogP3.86
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]cyclopropanecarboxamide

N-[2-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 25370656) has the molecular formula C22H32N4O and a molecular weight of 368.53 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]cyclopropanecarboxamide.

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]cyclopropanecarboxamide
PubChem CID25370656
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC NameN-[2-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCC1(C)[C@H]2CC=C(CN3CCC(n4nccc4NC(=O)C4CC4)CC3)[C@@H]1C2
InChIInChI=1S/C22H32N4O/c1-22(2)17-6-5-16(19(22)13-17)14-25-11-8-18(9-12-25)26-20(7-10-23-26)24-21(27)15-3-4-15/h5,7,10,15,17-19H,3-4,6,8-9,11-14H2,1-2H3,(H,24,27)/t17-,19-/m0/s1
InChIKeyVWHQXBIYUQHXPI-HKUYNNGSSA-N
XLogP3.86
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.86
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]cyclopropanecarboxamide with MolForge

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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]cyclopropanecarboxamide?
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]cyclopropanecarboxamide (CID 25370656) is N-[2-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
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]cyclopropanecarboxamide?
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]cyclopropanecarboxamide is CC1(C)[C@H]2CC=C(CN3CCC(n4nccc4NC(=O)C4CC4)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]cyclopropanecarboxamide?
The InChIKey is VWHQXBIYUQHXPI-HKUYNNGSSA-N. The full InChI is InChI=1S/C22H32N4O/c1-22(2)17-6-5-16(19(22)13-17)14-25-11-8-18(9-12-25)26-20(7-10-23-26)24-21(27)15-3-4-15/h5,7,10,15,17-19H,3-4,6,8-9,11-14H2,1-2H3,(H,24,27)/t17-,19-/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]cyclopropanecarboxamide?
N-[2-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 368.53 g/mol, XLogP of 3.86, 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]cyclopropanecarboxamide is sourced from PubChem (CID 25370656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).