2-cyclobutyl-N,4-dimethyl-5-[4-(4-pyrazol-1-ylphenyl)piperidine-1-carbonyl]benzamide

C28H32N4O2 — CID 90030386

IUPAC2-cyclobutyl-N,4-dimethyl-5-[4-(4-pyrazol-1-ylphenyl)piperidine-1-carbonyl]benzamide
SMILESCNC(=O)c1cc(C(=O)N2CCC(c3ccc(-n4cccn4)cc3)CC2)c(C)cc1C1CCC1
InChIInChI=1S/C28H32N4O2/c1-19-17-25(22-5-3-6-22)26(27(33)29-2)18-24(19)28(34)31-15-11-21(12-16-31)20-7-9-23(10-8-20)32-14-4-13-30-32/h4,7-10,13-14,17-18,21-22H,3,5-6,11-12,15-16H2,1-2H3,(H,29,33)
InChIKeyIVKVYWHFCHKLNH-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.83
Rot. Bonds5

About 2-cyclobutyl-N,4-dimethyl-5-[4-(4-pyrazol-1-ylphenyl)piperidine-1-carbonyl]benzamide

2-cyclobutyl-N,4-dimethyl-5-[4-(4-pyrazol-1-ylphenyl)piperidine-1-carbonyl]benzamide (PubChem CID 90030386) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-cyclobutyl-N,4-dimethyl-5-[4-(4-pyrazol-1-ylphenyl)piperidine-1-carbonyl]benzamide.

Molecular Properties

Compound Name2-cyclobutyl-N,4-dimethyl-5-[4-(4-pyrazol-1-ylphenyl)piperidine-1-carbonyl]benzamide
PubChem CID90030386
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Name2-cyclobutyl-N,4-dimethyl-5-[4-(4-pyrazol-1-ylphenyl)piperidine-1-carbonyl]benzamide
SMILESCNC(=O)c1cc(C(=O)N2CCC(c3ccc(-n4cccn4)cc3)CC2)c(C)cc1C1CCC1
InChIInChI=1S/C28H32N4O2/c1-19-17-25(22-5-3-6-22)26(27(33)29-2)18-24(19)28(34)31-15-11-21(12-16-31)20-7-9-23(10-8-20)32-14-4-13-30-32/h4,7-10,13-14,17-18,21-22H,3,5-6,11-12,15-16H2,1-2H3,(H,29,33)
InChIKeyIVKVYWHFCHKLNH-UHFFFAOYSA-N
XLogP4.83
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N,4-dimethyl-5-[4-(4-pyrazol-1-ylphenyl)piperidine-1-carbonyl]benzamide?
The IUPAC name of 2-cyclobutyl-N,4-dimethyl-5-[4-(4-pyrazol-1-ylphenyl)piperidine-1-carbonyl]benzamide (CID 90030386) is 2-cyclobutyl-N,4-dimethyl-5-[4-(4-pyrazol-1-ylphenyl)piperidine-1-carbonyl]benzamide.
What is the SMILES notation for 2-cyclobutyl-N,4-dimethyl-5-[4-(4-pyrazol-1-ylphenyl)piperidine-1-carbonyl]benzamide?
The canonical SMILES for 2-cyclobutyl-N,4-dimethyl-5-[4-(4-pyrazol-1-ylphenyl)piperidine-1-carbonyl]benzamide is CNC(=O)c1cc(C(=O)N2CCC(c3ccc(-n4cccn4)cc3)CC2)c(C)cc1C1CCC1.
What is the InChIKey of 2-cyclobutyl-N,4-dimethyl-5-[4-(4-pyrazol-1-ylphenyl)piperidine-1-carbonyl]benzamide?
The InChIKey is IVKVYWHFCHKLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-19-17-25(22-5-3-6-22)26(27(33)29-2)18-24(19)28(34)31-15-11-21(12-16-31)20-7-9-23(10-8-20)32-14-4-13-30-32/h4,7-10,13-14,17-18,21-22H,3,5-6,11-12,15-16H2,1-2H3,(H,29,33).
What are the key properties of 2-cyclobutyl-N,4-dimethyl-5-[4-(4-pyrazol-1-ylphenyl)piperidine-1-carbonyl]benzamide?
2-cyclobutyl-N,4-dimethyl-5-[4-(4-pyrazol-1-ylphenyl)piperidine-1-carbonyl]benzamide has a molecular weight of 456.59 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N,4-dimethyl-5-[4-(4-pyrazol-1-ylphenyl)piperidine-1-carbonyl]benzamide is sourced from PubChem (CID 90030386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).