5-[1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide

C18H30N4O2 — CID 110272377

IUPAC5-[1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1C1(C)CCCN(CC2(O)CCCCC2)C1
InChIInChI=1S/C18H30N4O2/c1-17(15-14(11-20-21-15)16(23)19-2)7-6-10-22(12-17)13-18(24)8-4-3-5-9-18/h11,24H,3-10,12-13H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyVYIKXJXSXNODIG-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.82
Rot. Bonds4

About 5-[1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide

5-[1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 110272377) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 5-[1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID110272377
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name5-[1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1C1(C)CCCN(CC2(O)CCCCC2)C1
InChIInChI=1S/C18H30N4O2/c1-17(15-14(11-20-21-15)16(23)19-2)7-6-10-22(12-17)13-18(24)8-4-3-5-9-18/h11,24H,3-10,12-13H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyVYIKXJXSXNODIG-UHFFFAOYSA-N
XLogP1.82
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide (CID 110272377) is 5-[1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide is CNC(=O)c1cn[nH]c1C1(C)CCCN(CC2(O)CCCCC2)C1.
What is the InChIKey of 5-[1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is VYIKXJXSXNODIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-17(15-14(11-20-21-15)16(23)19-2)7-6-10-22(12-17)13-18(24)8-4-3-5-9-18/h11,24H,3-10,12-13H2,1-2H3,(H,19,23)(H,20,21).
What are the key properties of 5-[1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide?
5-[1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 110272377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).