(1-methylpyrazol-3-yl)methyl-(3-piperidin-4-ylpropyl)carbamic acid

C14H24N4O2 — CID 66661041

IUPAC(1-methylpyrazol-3-yl)methyl-(3-piperidin-4-ylpropyl)carbamic acid
SMILESCn1ccc(CN(CCCC2CCNCC2)C(=O)O)n1
InChIInChI=1S/C14H24N4O2/c1-17-10-6-13(16-17)11-18(14(19)20)9-2-3-12-4-7-15-8-5-12/h6,10,12,15H,2-5,7-9,11H2,1H3,(H,19,20)
InChIKeyULOCMJPRFJKGND-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.68
Rot. Bonds6

About (1-methylpyrazol-3-yl)methyl-(3-piperidin-4-ylpropyl)carbamic acid

(1-methylpyrazol-3-yl)methyl-(3-piperidin-4-ylpropyl)carbamic acid (PubChem CID 66661041) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)methyl-(3-piperidin-4-ylpropyl)carbamic acid.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)methyl-(3-piperidin-4-ylpropyl)carbamic acid
PubChem CID66661041
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name(1-methylpyrazol-3-yl)methyl-(3-piperidin-4-ylpropyl)carbamic acid
SMILESCn1ccc(CN(CCCC2CCNCC2)C(=O)O)n1
InChIInChI=1S/C14H24N4O2/c1-17-10-6-13(16-17)11-18(14(19)20)9-2-3-12-4-7-15-8-5-12/h6,10,12,15H,2-5,7-9,11H2,1H3,(H,19,20)
InChIKeyULOCMJPRFJKGND-UHFFFAOYSA-N
XLogP1.68
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)methyl-(3-piperidin-4-ylpropyl)carbamic acid?
The IUPAC name of (1-methylpyrazol-3-yl)methyl-(3-piperidin-4-ylpropyl)carbamic acid (CID 66661041) is (1-methylpyrazol-3-yl)methyl-(3-piperidin-4-ylpropyl)carbamic acid.
What is the SMILES notation for (1-methylpyrazol-3-yl)methyl-(3-piperidin-4-ylpropyl)carbamic acid?
The canonical SMILES for (1-methylpyrazol-3-yl)methyl-(3-piperidin-4-ylpropyl)carbamic acid is Cn1ccc(CN(CCCC2CCNCC2)C(=O)O)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)methyl-(3-piperidin-4-ylpropyl)carbamic acid?
The InChIKey is ULOCMJPRFJKGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-17-10-6-13(16-17)11-18(14(19)20)9-2-3-12-4-7-15-8-5-12/h6,10,12,15H,2-5,7-9,11H2,1H3,(H,19,20).
What are the key properties of (1-methylpyrazol-3-yl)methyl-(3-piperidin-4-ylpropyl)carbamic acid?
(1-methylpyrazol-3-yl)methyl-(3-piperidin-4-ylpropyl)carbamic acid has a molecular weight of 280.37 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)methyl-(3-piperidin-4-ylpropyl)carbamic acid is sourced from PubChem (CID 66661041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).