cyclopropyl-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]methanone

C18H30N4O2 — CID 51104967

IUPACcyclopropyl-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]methanone
SMILESCOc1c(CNC2CCN(C(=O)C3CC3)CC2)c(C(C)C)nn1C
InChIInChI=1S/C18H30N4O2/c1-12(2)16-15(18(24-4)21(3)20-16)11-19-14-7-9-22(10-8-14)17(23)13-5-6-13/h12-14,19H,5-11H2,1-4H3
InChIKeyDFKJCVIKVKIYGG-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.04
Rot. Bonds6

About cyclopropyl-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]methanone

cyclopropyl-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]methanone (PubChem CID 51104967) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is cyclopropyl-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]methanone
PubChem CID51104967
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Namecyclopropyl-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]methanone
SMILESCOc1c(CNC2CCN(C(=O)C3CC3)CC2)c(C(C)C)nn1C
InChIInChI=1S/C18H30N4O2/c1-12(2)16-15(18(24-4)21(3)20-16)11-19-14-7-9-22(10-8-14)17(23)13-5-6-13/h12-14,19H,5-11H2,1-4H3
InChIKeyDFKJCVIKVKIYGG-UHFFFAOYSA-N
XLogP2.04
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]methanone (CID 51104967) is cyclopropyl-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]methanone is COc1c(CNC2CCN(C(=O)C3CC3)CC2)c(C(C)C)nn1C.
What is the InChIKey of cyclopropyl-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]methanone?
The InChIKey is DFKJCVIKVKIYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-12(2)16-15(18(24-4)21(3)20-16)11-19-14-7-9-22(10-8-14)17(23)13-5-6-13/h12-14,19H,5-11H2,1-4H3.
What are the key properties of cyclopropyl-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]methanone?
cyclopropyl-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]methanone has a molecular weight of 334.46 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]methanone is sourced from PubChem (CID 51104967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).