4-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide

C25H30N4O2 — CID 56552141

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCc3ccc(CN4CCC(O)CC4)cc3)cc2)n1
InChIInChI=1S/C25H30N4O2/c1-18-15-19(2)29(27-18)23-9-7-22(8-10-23)25(31)26-16-20-3-5-21(6-4-20)17-28-13-11-24(30)12-14-28/h3-10,15,24,30H,11-14,16-17H2,1-2H3,(H,26,31)
InChIKeyTVHQEDHQJMXTOQ-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.38
Rot. Bonds6

About 4-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide (PubChem CID 56552141) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
PubChem CID56552141
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCc3ccc(CN4CCC(O)CC4)cc3)cc2)n1
InChIInChI=1S/C25H30N4O2/c1-18-15-19(2)29(27-18)23-9-7-22(8-10-23)25(31)26-16-20-3-5-21(6-4-20)17-28-13-11-24(30)12-14-28/h3-10,15,24,30H,11-14,16-17H2,1-2H3,(H,26,31)
InChIKeyTVHQEDHQJMXTOQ-UHFFFAOYSA-N
XLogP3.38
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 9112873
4-(3,5-dimethylpyrazol-1-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide
CID 55664687
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 56551997
N-[(4-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 92680753
4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 26251280
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 56555119
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 56551658
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 48994302
4-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]benzamide
CID 55716054
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55723880
4-bromo-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 56551902
N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide (CID 56552141) is 4-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide is Cc1cc(C)n(-c2ccc(C(=O)NCc3ccc(CN4CCC(O)CC4)cc3)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The InChIKey is TVHQEDHQJMXTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-18-15-19(2)29(27-18)23-9-7-22(8-10-23)25(31)26-16-20-3-5-21(6-4-20)17-28-13-11-24(30)12-14-28/h3-10,15,24,30H,11-14,16-17H2,1-2H3,(H,26,31).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide has a molecular weight of 418.54 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 56552141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).