N-[[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

C19H32N4O2 — CID 119046469

IUPACN-[[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2CCN(CC(O)C3CCCCC3)CC2)cn1
InChIInChI=1S/C19H32N4O2/c1-22-13-17(12-21-22)19(25)20-11-15-7-9-23(10-8-15)14-18(24)16-5-3-2-4-6-16/h12-13,15-16,18,24H,2-11,14H2,1H3,(H,20,25)
InChIKeyZLQCFJPNWUKKBF-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.80
Rot. Bonds6

About N-[[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

N-[[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 119046469) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID119046469
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN-[[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2CCN(CC(O)C3CCCCC3)CC2)cn1
InChIInChI=1S/C19H32N4O2/c1-22-13-17(12-21-22)19(25)20-11-15-7-9-23(10-8-15)14-18(24)16-5-3-2-4-6-16/h12-13,15-16,18,24H,2-11,14H2,1H3,(H,20,25)
InChIKeyZLQCFJPNWUKKBF-UHFFFAOYSA-N
XLogP1.80
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide (CID 119046469) is N-[[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCC2CCN(CC(O)C3CCCCC3)CC2)cn1.
What is the InChIKey of N-[[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is ZLQCFJPNWUKKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-22-13-17(12-21-22)19(25)20-11-15-7-9-23(10-8-15)14-18(24)16-5-3-2-4-6-16/h12-13,15-16,18,24H,2-11,14H2,1H3,(H,20,25).
What are the key properties of N-[[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
N-[[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 119046469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).