N-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide

C23H26N4O3S — CID 25381470

IUPACN-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
SMILESCc1ccc(C(=O)N2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)s1
InChIInChI=1S/C23H26N4O3S/c1-17-7-8-20(31-17)23(29)26-14-10-18(11-15-26)27-21(9-13-24-27)25-22(28)12-16-30-19-5-3-2-4-6-19/h2-9,13,18H,10-12,14-16H2,1H3,(H,25,28)
InChIKeyYKGXMLRWHXQVTN-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.14
Rot. Bonds7

About N-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide

N-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide (PubChem CID 25381470) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
PubChem CID25381470
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
SMILESCc1ccc(C(=O)N2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)s1
InChIInChI=1S/C23H26N4O3S/c1-17-7-8-20(31-17)23(29)26-14-10-18(11-15-26)27-21(9-13-24-27)25-22(28)12-16-30-19-5-3-2-4-6-19/h2-9,13,18H,10-12,14-16H2,1H3,(H,25,28)
InChIKeyYKGXMLRWHXQVTN-UHFFFAOYSA-N
XLogP4.14
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The IUPAC name of N-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide (CID 25381470) is N-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide is Cc1ccc(C(=O)N2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)s1.
What is the InChIKey of N-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The InChIKey is YKGXMLRWHXQVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-17-7-8-20(31-17)23(29)26-14-10-18(11-15-26)27-21(9-13-24-27)25-22(28)12-16-30-19-5-3-2-4-6-19/h2-9,13,18H,10-12,14-16H2,1H3,(H,25,28).
What are the key properties of N-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
N-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide has a molecular weight of 438.55 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide is sourced from PubChem (CID 25381470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).