3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]piperidin-2-one

C21H26N4O2 — CID 56712711

IUPAC3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]piperidin-2-one
SMILESO=C1NCCCC1C(=O)N1CCC(c2cc(Cc3ccccc3)[nH]n2)CC1
InChIInChI=1S/C21H26N4O2/c26-20-18(7-4-10-22-20)21(27)25-11-8-16(9-12-25)19-14-17(23-24-19)13-15-5-2-1-3-6-15/h1-3,5-6,14,16,18H,4,7-13H2,(H,22,26)(H,23,24)
InChIKeyWIYRUHDWTWEHNV-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.23
Rot. Bonds4

About 3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]piperidin-2-one

3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]piperidin-2-one (PubChem CID 56712711) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]piperidin-2-one
PubChem CID56712711
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]piperidin-2-one
SMILESO=C1NCCCC1C(=O)N1CCC(c2cc(Cc3ccccc3)[nH]n2)CC1
InChIInChI=1S/C21H26N4O2/c26-20-18(7-4-10-22-20)21(27)25-11-8-16(9-12-25)19-14-17(23-24-19)13-15-5-2-1-3-6-15/h1-3,5-6,14,16,18H,4,7-13H2,(H,22,26)(H,23,24)
InChIKeyWIYRUHDWTWEHNV-UHFFFAOYSA-N
XLogP2.23
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]piperidin-2-one (CID 56712711) is 3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]piperidin-2-one is O=C1NCCCC1C(=O)N1CCC(c2cc(Cc3ccccc3)[nH]n2)CC1.
What is the InChIKey of 3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is WIYRUHDWTWEHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-20-18(7-4-10-22-20)21(27)25-11-8-16(9-12-25)19-14-17(23-24-19)13-15-5-2-1-3-6-15/h1-3,5-6,14,16,18H,4,7-13H2,(H,22,26)(H,23,24).
What are the key properties of 3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]piperidin-2-one?
3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 366.47 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 56712711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).