2-methyl-1-[6-[[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]spiro[3.3]heptan-2-yl]propan-1-one

C23H37N3O — CID 167386959

IUPAC2-methyl-1-[6-[[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]spiro[3.3]heptan-2-yl]propan-1-one
SMILESCC(C)C(=O)C1CC2(CC(CN3CCC(n4cc(C(C)C)cn4)CC3)C2)C1
InChIInChI=1S/C23H37N3O/c1-16(2)20-13-24-26(15-20)21-5-7-25(8-6-21)14-18-9-23(10-18)11-19(12-23)22(27)17(3)4/h13,15-19,21H,5-12,14H2,1-4H3
InChIKeyRWERQVQUZLSLPC-UHFFFAOYSA-N
MW371.57 g/mol
LogP4.67
Rot. Bonds6

About 2-methyl-1-[6-[[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]spiro[3.3]heptan-2-yl]propan-1-one

2-methyl-1-[6-[[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]spiro[3.3]heptan-2-yl]propan-1-one (PubChem CID 167386959) has the molecular formula C23H37N3O and a molecular weight of 371.57 g/mol. Its IUPAC name is 2-methyl-1-[6-[[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]spiro[3.3]heptan-2-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[6-[[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]spiro[3.3]heptan-2-yl]propan-1-one
PubChem CID167386959
Molecular FormulaC23H37N3O
Molecular Weight371.57 g/mol
Exact Mass371.29
IUPAC Name2-methyl-1-[6-[[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]spiro[3.3]heptan-2-yl]propan-1-one
SMILESCC(C)C(=O)C1CC2(CC(CN3CCC(n4cc(C(C)C)cn4)CC3)C2)C1
InChIInChI=1S/C23H37N3O/c1-16(2)20-13-24-26(15-20)21-5-7-25(8-6-21)14-18-9-23(10-18)11-19(12-23)22(27)17(3)4/h13,15-19,21H,5-12,14H2,1-4H3
InChIKeyRWERQVQUZLSLPC-UHFFFAOYSA-N
XLogP4.67
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-[6-[[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]spiro[3.3]heptan-2-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-[4-[[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]propan-1-one
CID 155740508
1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one
CID 163401121
6-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one
CID 163401350
3-methyl-1-[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]butan-2-one
CID 167386802
2-methylsulfanyl-1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone
CID 156511021
1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-ol
CID 163407531
1-[4-[[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]propan-1-one
CID 155739865
4-[3-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]butan-2-one
CID 155402038
N-[[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]methyl]propan-2-amine
CID 155740125
3-(4-propan-2-ylpyrazol-1-yl)thiolane 1-oxide
CID 172606973
1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-amine
CID 155280275
S-methyl 3-[3-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]propanethioate
CID 155405069

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[6-[[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]spiro[3.3]heptan-2-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[6-[[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]spiro[3.3]heptan-2-yl]propan-1-one (CID 167386959) is 2-methyl-1-[6-[[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]spiro[3.3]heptan-2-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[6-[[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]spiro[3.3]heptan-2-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[6-[[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]spiro[3.3]heptan-2-yl]propan-1-one is CC(C)C(=O)C1CC2(CC(CN3CCC(n4cc(C(C)C)cn4)CC3)C2)C1.
What is the InChIKey of 2-methyl-1-[6-[[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]spiro[3.3]heptan-2-yl]propan-1-one?
The InChIKey is RWERQVQUZLSLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O/c1-16(2)20-13-24-26(15-20)21-5-7-25(8-6-21)14-18-9-23(10-18)11-19(12-23)22(27)17(3)4/h13,15-19,21H,5-12,14H2,1-4H3.
What are the key properties of 2-methyl-1-[6-[[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]spiro[3.3]heptan-2-yl]propan-1-one?
2-methyl-1-[6-[[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]spiro[3.3]heptan-2-yl]propan-1-one has a molecular weight of 371.57 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[6-[[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]spiro[3.3]heptan-2-yl]propan-1-one is sourced from PubChem (CID 167386959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).