2-methyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one

C14H24N4O — CID 43747825

IUPAC2-methyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
SMILESCc1[nH]ncc1CNC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C14H24N4O/c1-10(2)14(19)18-6-4-13(5-7-18)15-8-12-9-16-17-11(12)3/h9-10,13,15H,4-8H2,1-3H3,(H,16,17)
InChIKeyYOYDODNLHLVHTB-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.45
Rot. Bonds4

About 2-methyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one

2-methyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one (PubChem CID 43747825) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-methyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
PubChem CID43747825
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-methyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
SMILESCc1[nH]ncc1CNC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C14H24N4O/c1-10(2)14(19)18-6-4-13(5-7-18)15-8-12-9-16-17-11(12)3/h9-10,13,15H,4-8H2,1-3H3,(H,16,17)
InChIKeyYOYDODNLHLVHTB-UHFFFAOYSA-N
XLogP1.45
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one (CID 43747825) is 2-methyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one is Cc1[nH]ncc1CNC1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 2-methyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one?
The InChIKey is YOYDODNLHLVHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)14(19)18-6-4-13(5-7-18)15-8-12-9-16-17-11(12)3/h9-10,13,15H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one?
2-methyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one has a molecular weight of 264.37 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 43747825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).