N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide

C26H32N4O2 — CID 24791181

IUPACN-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
SMILESCCOc1ccccc1CN1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C26H32N4O2/c1-2-32-24-11-7-6-10-22(24)20-29-18-15-23(16-19-29)30-25(14-17-27-30)28-26(31)13-12-21-8-4-3-5-9-21/h3-11,14,17,23H,2,12-13,15-16,18-20H2,1H3,(H,28,31)
InChIKeyUFQIPMUNOULXCA-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.69
Rot. Bonds9

About N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide

N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide (PubChem CID 24791181) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
PubChem CID24791181
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC NameN-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
SMILESCCOc1ccccc1CN1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C26H32N4O2/c1-2-32-24-11-7-6-10-22(24)20-29-18-15-23(16-19-29)30-25(14-17-27-30)28-26(31)13-12-21-8-4-3-5-9-21/h3-11,14,17,23H,2,12-13,15-16,18-20H2,1H3,(H,28,31)
InChIKeyUFQIPMUNOULXCA-UHFFFAOYSA-N
XLogP4.69
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide (CID 24791181) is N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide is CCOc1ccccc1CN1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The InChIKey is UFQIPMUNOULXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-2-32-24-11-7-6-10-22(24)20-29-18-15-23(16-19-29)30-25(14-17-27-30)28-26(31)13-12-21-8-4-3-5-9-21/h3-11,14,17,23H,2,12-13,15-16,18-20H2,1H3,(H,28,31).
What are the key properties of N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide has a molecular weight of 432.57 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 24791181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).