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

C23H30N4O — CID 24793873

IUPACN-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccnn1C1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C23H30N4O/c1-18-7-5-6-10-21(18)23(28)25-22-11-14-24-27(22)20-12-15-26(16-13-20)17-19-8-3-2-4-9-19/h2-3,5-7,10-11,14,19-20H,4,8-9,12-13,15-17H2,1H3,(H,25,28)
InChIKeyUTXOYQMARXARTH-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.44
Rot. Bonds5

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

N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide (PubChem CID 24793873) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
PubChem CID24793873
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccnn1C1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C23H30N4O/c1-18-7-5-6-10-21(18)23(28)25-22-11-14-24-27(22)20-12-15-26(16-13-20)17-19-8-3-2-4-9-19/h2-3,5-7,10-11,14,19-20H,4,8-9,12-13,15-17H2,1H3,(H,25,28)
InChIKeyUTXOYQMARXARTH-UHFFFAOYSA-N
XLogP4.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.44
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]-2-methylbenzamide?
The IUPAC name of N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide (CID 24793873) is N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide?
The canonical SMILES for N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccnn1C1CCN(CC2CC=CCC2)CC1.
What is the InChIKey of N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide?
The InChIKey is UTXOYQMARXARTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-18-7-5-6-10-21(18)23(28)25-22-11-14-24-27(22)20-12-15-26(16-13-20)17-19-8-3-2-4-9-19/h2-3,5-7,10-11,14,19-20H,4,8-9,12-13,15-17H2,1H3,(H,25,28).
What are the key properties of N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide?
N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide has a molecular weight of 378.52 g/mol, XLogP of 4.44, 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]-2-methylbenzamide is sourced from PubChem (CID 24793873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).