2-[4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]acetamide

C15H27N5O — CID 43791284

IUPAC2-[4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]acetamide
SMILESCC(C)c1nn(C)cc1CNC1CCN(CC(N)=O)CC1
InChIInChI=1S/C15H27N5O/c1-11(2)15-12(9-19(3)18-15)8-17-13-4-6-20(7-5-13)10-14(16)21/h9,11,13,17H,4-8,10H2,1-3H3,(H2,16,21)
InChIKeyXQLUPZGEGRMWCT-UHFFFAOYSA-N
MW293.42 g/mol
LogP0.58
Rot. Bonds6

About 2-[4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]acetamide

2-[4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]acetamide (PubChem CID 43791284) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-[4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]acetamide
PubChem CID43791284
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name2-[4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]acetamide
SMILESCC(C)c1nn(C)cc1CNC1CCN(CC(N)=O)CC1
InChIInChI=1S/C15H27N5O/c1-11(2)15-12(9-19(3)18-15)8-17-13-4-6-20(7-5-13)10-14(16)21/h9,11,13,17H,4-8,10H2,1-3H3,(H2,16,21)
InChIKeyXQLUPZGEGRMWCT-UHFFFAOYSA-N
XLogP0.58
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 43754680
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]thian-4-amine
CID 115614407
4-ethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 60958007
2-[4-[(2,4,5-trifluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 103792489
2-[4-[(2-aminophenyl)methylamino]piperidin-1-yl]acetamide
CID 66416889
2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide
CID 43754758
2-[4-[(3-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 115695785
2-[4-[(1-methylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
CID 62132229
2-[4-[(4-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 114841998
2-[4-(1,3-thiazol-5-ylmethylamino)piperidin-1-yl]acetamide
CID 62759264
2-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 103948078
2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 115951528

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]acetamide (CID 43791284) is 2-[4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]acetamide is CC(C)c1nn(C)cc1CNC1CCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]acetamide?
The InChIKey is XQLUPZGEGRMWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-11(2)15-12(9-19(3)18-15)8-17-13-4-6-20(7-5-13)10-14(16)21/h9,11,13,17H,4-8,10H2,1-3H3,(H2,16,21).
What are the key properties of 2-[4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]acetamide?
2-[4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]acetamide has a molecular weight of 293.42 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 43791284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).