2-methyl-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one

C16H27N3O — CID 177301743

IUPAC2-methyl-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(Cn2cc(C(C)C)cn2)CC1
InChIInChI=1S/C16H27N3O/c1-12(2)15-9-17-19(11-15)10-14-5-7-18(8-6-14)16(20)13(3)4/h9,11-14H,5-8,10H2,1-4H3
InChIKeyUWQAUVKNTNOCQV-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.90
Rot. Bonds4

About 2-methyl-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one

2-methyl-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 177301743) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-methyl-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one
PubChem CID177301743
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-methyl-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(Cn2cc(C(C)C)cn2)CC1
InChIInChI=1S/C16H27N3O/c1-12(2)15-9-17-19(11-15)10-14-5-7-18(8-6-14)16(20)13(3)4/h9,11-14H,5-8,10H2,1-4H3
InChIKeyUWQAUVKNTNOCQV-UHFFFAOYSA-N
XLogP2.90
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one (CID 177301743) is 2-methyl-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC(Cn2cc(C(C)C)cn2)CC1.
What is the InChIKey of 2-methyl-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is UWQAUVKNTNOCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)15-9-17-19(11-15)10-14-5-7-18(8-6-14)16(20)13(3)4/h9,11-14H,5-8,10H2,1-4H3.
What are the key properties of 2-methyl-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
2-methyl-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 277.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 177301743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).