(2-methylpiperidin-1-yl)-[3-methyl-4-[(4-pyrazol-1-ylphenyl)methylamino]phenyl]methanone

C24H28N4O — CID 119038941

IUPAC(2-methylpiperidin-1-yl)-[3-methyl-4-[(4-pyrazol-1-ylphenyl)methylamino]phenyl]methanone
SMILESCc1cc(C(=O)N2CCCCC2C)ccc1NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C24H28N4O/c1-18-16-21(24(29)27-14-4-3-6-19(27)2)9-12-23(18)25-17-20-7-10-22(11-8-20)28-15-5-13-26-28/h5,7-13,15-16,19,25H,3-4,6,14,17H2,1-2H3
InChIKeyNPQZZLDIZWVGEH-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.81
Rot. Bonds5

About (2-methylpiperidin-1-yl)-[3-methyl-4-[(4-pyrazol-1-ylphenyl)methylamino]phenyl]methanone

(2-methylpiperidin-1-yl)-[3-methyl-4-[(4-pyrazol-1-ylphenyl)methylamino]phenyl]methanone (PubChem CID 119038941) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is (2-methylpiperidin-1-yl)-[3-methyl-4-[(4-pyrazol-1-ylphenyl)methylamino]phenyl]methanone.

Molecular Properties

Compound Name(2-methylpiperidin-1-yl)-[3-methyl-4-[(4-pyrazol-1-ylphenyl)methylamino]phenyl]methanone
PubChem CID119038941
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name(2-methylpiperidin-1-yl)-[3-methyl-4-[(4-pyrazol-1-ylphenyl)methylamino]phenyl]methanone
SMILESCc1cc(C(=O)N2CCCCC2C)ccc1NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C24H28N4O/c1-18-16-21(24(29)27-14-4-3-6-19(27)2)9-12-23(18)25-17-20-7-10-22(11-8-20)28-15-5-13-26-28/h5,7-13,15-16,19,25H,3-4,6,14,17H2,1-2H3
InChIKeyNPQZZLDIZWVGEH-UHFFFAOYSA-N
XLogP4.81
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-methylpiperidin-1-yl)-[3-methyl-4-[(4-pyrazol-1-ylphenyl)methylamino]phenyl]methanone with MolForge

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Related Compounds

N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 128950826
[3-methyl-4-[(5-methylfuran-2-yl)methylamino]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 100623753
1-[(2R)-2-methylpiperidin-1-yl]-2-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]ethanone
CID 36904859
2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 119305940
4-[[4-(2-methylpiperidine-1-carbonyl)anilino]methyl]benzoic acid
CID 122033520
[2-(hydroxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 43421347
3-[(2R)-1-(4-pyrazol-1-ylbenzoyl)piperidin-2-yl]propanoic acid
CID 124701383
[2-(aminomethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 119467259
1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-2-carboxylic acid
CID 122107177
5-[[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119113859
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-pyrazol-1-ylbenzamide
CID 9473184
(2-methylpiperidin-1-yl)-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 46419890

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-1-yl)-[3-methyl-4-[(4-pyrazol-1-ylphenyl)methylamino]phenyl]methanone?
The IUPAC name of (2-methylpiperidin-1-yl)-[3-methyl-4-[(4-pyrazol-1-ylphenyl)methylamino]phenyl]methanone (CID 119038941) is (2-methylpiperidin-1-yl)-[3-methyl-4-[(4-pyrazol-1-ylphenyl)methylamino]phenyl]methanone.
What is the SMILES notation for (2-methylpiperidin-1-yl)-[3-methyl-4-[(4-pyrazol-1-ylphenyl)methylamino]phenyl]methanone?
The canonical SMILES for (2-methylpiperidin-1-yl)-[3-methyl-4-[(4-pyrazol-1-ylphenyl)methylamino]phenyl]methanone is Cc1cc(C(=O)N2CCCCC2C)ccc1NCc1ccc(-n2cccn2)cc1.
What is the InChIKey of (2-methylpiperidin-1-yl)-[3-methyl-4-[(4-pyrazol-1-ylphenyl)methylamino]phenyl]methanone?
The InChIKey is NPQZZLDIZWVGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-18-16-21(24(29)27-14-4-3-6-19(27)2)9-12-23(18)25-17-20-7-10-22(11-8-20)28-15-5-13-26-28/h5,7-13,15-16,19,25H,3-4,6,14,17H2,1-2H3.
What are the key properties of (2-methylpiperidin-1-yl)-[3-methyl-4-[(4-pyrazol-1-ylphenyl)methylamino]phenyl]methanone?
(2-methylpiperidin-1-yl)-[3-methyl-4-[(4-pyrazol-1-ylphenyl)methylamino]phenyl]methanone has a molecular weight of 388.52 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-1-yl)-[3-methyl-4-[(4-pyrazol-1-ylphenyl)methylamino]phenyl]methanone is sourced from PubChem (CID 119038941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).