N-[4-[2-(2-piperidin-1-ylacetyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide

C22H26N4O2S — CID 42891121

IUPACN-[4-[2-(2-piperidin-1-ylacetyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=NN(C(=O)CN3CCCCC3)C(c3cccs3)C2)cc1
InChIInChI=1S/C22H26N4O2S/c1-16(27)23-18-9-7-17(8-10-18)19-14-20(21-6-5-13-29-21)26(24-19)22(28)15-25-11-3-2-4-12-25/h5-10,13,20H,2-4,11-12,14-15H2,1H3,(H,23,27)
InChIKeyBHCVACUNDQVCDZ-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.87
Rot. Bonds5

About N-[4-[2-(2-piperidin-1-ylacetyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide

N-[4-[2-(2-piperidin-1-ylacetyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide (PubChem CID 42891121) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[4-[2-(2-piperidin-1-ylacetyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-piperidin-1-ylacetyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide
PubChem CID42891121
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-[4-[2-(2-piperidin-1-ylacetyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=NN(C(=O)CN3CCCCC3)C(c3cccs3)C2)cc1
InChIInChI=1S/C22H26N4O2S/c1-16(27)23-18-9-7-17(8-10-18)19-14-20(21-6-5-13-29-21)26(24-19)22(28)15-25-11-3-2-4-12-25/h5-10,13,20H,2-4,11-12,14-15H2,1H3,(H,23,27)
InChIKeyBHCVACUNDQVCDZ-UHFFFAOYSA-N
XLogP3.87
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 16017236
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CID 16017256
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CID 9676566
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CID 16194799
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CID 16194906
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CID 2983587
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CID 4209901
CID 4209901

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-piperidin-1-ylacetyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(2-piperidin-1-ylacetyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide (CID 42891121) is N-[4-[2-(2-piperidin-1-ylacetyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(2-piperidin-1-ylacetyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(2-piperidin-1-ylacetyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2=NN(C(=O)CN3CCCCC3)C(c3cccs3)C2)cc1.
What is the InChIKey of N-[4-[2-(2-piperidin-1-ylacetyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide?
The InChIKey is BHCVACUNDQVCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-16(27)23-18-9-7-17(8-10-18)19-14-20(21-6-5-13-29-21)26(24-19)22(28)15-25-11-3-2-4-12-25/h5-10,13,20H,2-4,11-12,14-15H2,1H3,(H,23,27).
What are the key properties of N-[4-[2-(2-piperidin-1-ylacetyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide?
N-[4-[2-(2-piperidin-1-ylacetyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide has a molecular weight of 410.54 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-piperidin-1-ylacetyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 42891121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).