N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine

C23H30N4O — CID 26410385

IUPACN-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1ccc(CN2CCC(CN(C)Cc3cn[nH]c3-c3ccccc3)CC2)o1
InChIInChI=1S/C23H30N4O/c1-18-8-9-22(28-18)17-27-12-10-19(11-13-27)15-26(2)16-21-14-24-25-23(21)20-6-4-3-5-7-20/h3-9,14,19H,10-13,15-17H2,1-2H3,(H,24,25)
InChIKeyLNLBYXUJDWZZPV-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.32
Rot. Bonds7

About N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine

N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 26410385) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID26410385
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1ccc(CN2CCC(CN(C)Cc3cn[nH]c3-c3ccccc3)CC2)o1
InChIInChI=1S/C23H30N4O/c1-18-8-9-22(28-18)17-27-12-10-19(11-13-27)15-26(2)16-21-14-24-25-23(21)20-6-4-3-5-7-20/h3-9,14,19H,10-13,15-17H2,1-2H3,(H,24,25)
InChIKeyLNLBYXUJDWZZPV-UHFFFAOYSA-N
XLogP4.32
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine (CID 26410385) is N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine is Cc1ccc(CN2CCC(CN(C)Cc3cn[nH]c3-c3ccccc3)CC2)o1.
What is the InChIKey of N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is LNLBYXUJDWZZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-18-8-9-22(28-18)17-27-12-10-19(11-13-27)15-26(2)16-21-14-24-25-23(21)20-6-4-3-5-7-20/h3-9,14,19H,10-13,15-17H2,1-2H3,(H,24,25).
What are the key properties of N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 378.52 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 26410385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).