N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-pyrazol-1-ylbenzamide

C19H26N4O2 — CID 111112821

IUPACN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-pyrazol-1-ylbenzamide
SMILESCC1CCN(CC(O)CNC(=O)c2ccc(-n3cccn3)cc2)CC1
InChIInChI=1S/C19H26N4O2/c1-15-7-11-22(12-8-15)14-18(24)13-20-19(25)16-3-5-17(6-4-16)23-10-2-9-21-23/h2-6,9-10,15,18,24H,7-8,11-14H2,1H3,(H,20,25)
InChIKeyYFWDXNGTNBVXSF-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.69
Rot. Bonds6

About N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-pyrazol-1-ylbenzamide

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-pyrazol-1-ylbenzamide (PubChem CID 111112821) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-pyrazol-1-ylbenzamide
PubChem CID111112821
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-pyrazol-1-ylbenzamide
SMILESCC1CCN(CC(O)CNC(=O)c2ccc(-n3cccn3)cc2)CC1
InChIInChI=1S/C19H26N4O2/c1-15-7-11-22(12-8-15)14-18(24)13-20-19(25)16-3-5-17(6-4-16)23-10-2-9-21-23/h2-6,9-10,15,18,24H,7-8,11-14H2,1H3,(H,20,25)
InChIKeyYFWDXNGTNBVXSF-UHFFFAOYSA-N
XLogP1.69
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 111422376
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide
CID 111112795
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 111422368
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methylpyridine-2-carboxamide
CID 111112729
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 111119910
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide
CID 111112713
N-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide
CID 65031869
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-nitrobenzamide
CID 111112812
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 111422396
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,2,5-thiadiazole-3-carboxamide
CID 111422524
3,6-dichloro-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 111112860
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1-methylindole-2-carboxamide
CID 111112721

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-pyrazol-1-ylbenzamide (CID 111112821) is N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-pyrazol-1-ylbenzamide is CC1CCN(CC(O)CNC(=O)c2ccc(-n3cccn3)cc2)CC1.
What is the InChIKey of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-pyrazol-1-ylbenzamide?
The InChIKey is YFWDXNGTNBVXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15-7-11-22(12-8-15)14-18(24)13-20-19(25)16-3-5-17(6-4-16)23-10-2-9-21-23/h2-6,9-10,15,18,24H,7-8,11-14H2,1H3,(H,20,25).
What are the key properties of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-pyrazol-1-ylbenzamide?
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-pyrazol-1-ylbenzamide has a molecular weight of 342.44 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 111112821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).