N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide

C22H28N4O — CID 24792982

IUPACN-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1C1CCN(CC2CC=CCC2)CC1)c1ccccc1
InChIInChI=1S/C22H28N4O/c27-22(19-9-5-2-6-10-19)24-21-11-14-23-26(21)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-3,5-6,9-11,14,18,20H,4,7-8,12-13,15-17H2,(H,24,27)
InChIKeyTVLVVECFXOZSMT-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.13
Rot. Bonds5

About N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide

N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24792982) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24792982
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1C1CCN(CC2CC=CCC2)CC1)c1ccccc1
InChIInChI=1S/C22H28N4O/c27-22(19-9-5-2-6-10-19)24-21-11-14-23-26(21)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-3,5-6,9-11,14,18,20H,4,7-8,12-13,15-17H2,(H,24,27)
InChIKeyTVLVVECFXOZSMT-UHFFFAOYSA-N
XLogP4.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24792982) is N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide is O=C(Nc1ccnn1C1CCN(CC2CC=CCC2)CC1)c1ccccc1.
What is the InChIKey of N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is TVLVVECFXOZSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c27-22(19-9-5-2-6-10-19)24-21-11-14-23-26(21)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-3,5-6,9-11,14,18,20H,4,7-8,12-13,15-17H2,(H,24,27).
What are the key properties of N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 364.49 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24792982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).