N-methyl-N-[(1S)-2-(2-methylphenyl)-1-[1-(4-phenylbutanoyl)piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide

C30H38N4O2 — CID 42434978

IUPACN-methyl-N-[(1S)-2-(2-methylphenyl)-1-[1-(4-phenylbutanoyl)piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide
SMILESCc1ccccc1C[C@@H](C1CCN(C(=O)CCCc2ccccc2)CC1)N(C)C(=O)Cn1cccn1
InChIInChI=1S/C30H38N4O2/c1-24-10-6-7-14-27(24)22-28(32(2)30(36)23-34-19-9-18-31-34)26-16-20-33(21-17-26)29(35)15-8-13-25-11-4-3-5-12-25/h3-7,9-12,14,18-19,26,28H,8,13,15-17,20-23H2,1-2H3/t28-/m0/s1
InChIKeyXULVYKLIFPTKGI-NDEPHWFRSA-N
MW486.66 g/mol
LogP4.52
Rot. Bonds10

About N-methyl-N-[(1S)-2-(2-methylphenyl)-1-[1-(4-phenylbutanoyl)piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide

N-methyl-N-[(1S)-2-(2-methylphenyl)-1-[1-(4-phenylbutanoyl)piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide (PubChem CID 42434978) has the molecular formula C30H38N4O2 and a molecular weight of 486.66 g/mol. Its IUPAC name is N-methyl-N-[(1S)-2-(2-methylphenyl)-1-[1-(4-phenylbutanoyl)piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(1S)-2-(2-methylphenyl)-1-[1-(4-phenylbutanoyl)piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide
PubChem CID42434978
Molecular FormulaC30H38N4O2
Molecular Weight486.66 g/mol
Exact Mass486.30
IUPAC NameN-methyl-N-[(1S)-2-(2-methylphenyl)-1-[1-(4-phenylbutanoyl)piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide
SMILESCc1ccccc1C[C@@H](C1CCN(C(=O)CCCc2ccccc2)CC1)N(C)C(=O)Cn1cccn1
InChIInChI=1S/C30H38N4O2/c1-24-10-6-7-14-27(24)22-28(32(2)30(36)23-34-19-9-18-31-34)26-16-20-33(21-17-26)29(35)15-8-13-25-11-4-3-5-12-25/h3-7,9-12,14,18-19,26,28H,8,13,15-17,20-23H2,1-2H3/t28-/m0/s1
InChIKeyXULVYKLIFPTKGI-NDEPHWFRSA-N
XLogP4.52
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1S)-2-(2-methylphenyl)-1-[1-(4-phenylbutanoyl)piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-methyl-N-[(1S)-2-(2-methylphenyl)-1-[1-(4-phenylbutanoyl)piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide (CID 42434978) is N-methyl-N-[(1S)-2-(2-methylphenyl)-1-[1-(4-phenylbutanoyl)piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-methyl-N-[(1S)-2-(2-methylphenyl)-1-[1-(4-phenylbutanoyl)piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-methyl-N-[(1S)-2-(2-methylphenyl)-1-[1-(4-phenylbutanoyl)piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide is Cc1ccccc1C[C@@H](C1CCN(C(=O)CCCc2ccccc2)CC1)N(C)C(=O)Cn1cccn1.
What is the InChIKey of N-methyl-N-[(1S)-2-(2-methylphenyl)-1-[1-(4-phenylbutanoyl)piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide?
The InChIKey is XULVYKLIFPTKGI-NDEPHWFRSA-N. The full InChI is InChI=1S/C30H38N4O2/c1-24-10-6-7-14-27(24)22-28(32(2)30(36)23-34-19-9-18-31-34)26-16-20-33(21-17-26)29(35)15-8-13-25-11-4-3-5-12-25/h3-7,9-12,14,18-19,26,28H,8,13,15-17,20-23H2,1-2H3/t28-/m0/s1.
What are the key properties of N-methyl-N-[(1S)-2-(2-methylphenyl)-1-[1-(4-phenylbutanoyl)piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide?
N-methyl-N-[(1S)-2-(2-methylphenyl)-1-[1-(4-phenylbutanoyl)piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide has a molecular weight of 486.66 g/mol, XLogP of 4.52, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1S)-2-(2-methylphenyl)-1-[1-(4-phenylbutanoyl)piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 42434978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).