1-[(5-acetylthiophen-3-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide

C24H28N4O2S — CID 24791211

IUPAC1-[(5-acetylthiophen-3-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide
SMILESCC(=O)c1cc(CN2CCC(C(=O)Nc3ccc(-n4nc(C)cc4C)cc3)CC2)cs1
InChIInChI=1S/C24H28N4O2S/c1-16-12-17(2)28(26-16)22-6-4-21(5-7-22)25-24(30)20-8-10-27(11-9-20)14-19-13-23(18(3)29)31-15-19/h4-7,12-13,15,20H,8-11,14H2,1-3H3,(H,25,30)
InChIKeyUWDYWOUBEGNXCU-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.60
Rot. Bonds6

About 1-[(5-acetylthiophen-3-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide

1-[(5-acetylthiophen-3-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide (PubChem CID 24791211) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is 1-[(5-acetylthiophen-3-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(5-acetylthiophen-3-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide
PubChem CID24791211
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC Name1-[(5-acetylthiophen-3-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide
SMILESCC(=O)c1cc(CN2CCC(C(=O)Nc3ccc(-n4nc(C)cc4C)cc3)CC2)cs1
InChIInChI=1S/C24H28N4O2S/c1-16-12-17(2)28(26-16)22-6-4-21(5-7-22)25-24(30)20-8-10-27(11-9-20)14-19-13-23(18(3)29)31-15-19/h4-7,12-13,15,20H,8-11,14H2,1-3H3,(H,25,30)
InChIKeyUWDYWOUBEGNXCU-UHFFFAOYSA-N
XLogP4.60
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-acetylthiophen-3-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(5-acetylthiophen-3-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide (CID 24791211) is 1-[(5-acetylthiophen-3-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(5-acetylthiophen-3-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(5-acetylthiophen-3-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide is CC(=O)c1cc(CN2CCC(C(=O)Nc3ccc(-n4nc(C)cc4C)cc3)CC2)cs1.
What is the InChIKey of 1-[(5-acetylthiophen-3-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is UWDYWOUBEGNXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-16-12-17(2)28(26-16)22-6-4-21(5-7-22)25-24(30)20-8-10-27(11-9-20)14-19-13-23(18(3)29)31-15-19/h4-7,12-13,15,20H,8-11,14H2,1-3H3,(H,25,30).
What are the key properties of 1-[(5-acetylthiophen-3-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide?
1-[(5-acetylthiophen-3-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-acetylthiophen-3-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 24791211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).