N-[2-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide

C26H32N4O2 — CID 24791072

IUPACN-[2-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
SMILESCc1ccc(CN2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)cc1C
InChIInChI=1S/C26H32N4O2/c1-20-8-9-22(18-21(20)2)19-29-15-11-23(12-16-29)30-25(10-14-27-30)28-26(31)13-17-32-24-6-4-3-5-7-24/h3-10,14,18,23H,11-13,15-17,19H2,1-2H3,(H,28,31)
InChIKeyYNRWNRDWYZXDEW-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.74
Rot. Bonds8

About N-[2-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide

N-[2-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide (PubChem CID 24791072) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[2-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
PubChem CID24791072
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC NameN-[2-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
SMILESCc1ccc(CN2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)cc1C
InChIInChI=1S/C26H32N4O2/c1-20-8-9-22(18-21(20)2)19-29-15-11-23(12-16-29)30-25(10-14-27-30)28-26(31)13-17-32-24-6-4-3-5-7-24/h3-10,14,18,23H,11-13,15-17,19H2,1-2H3,(H,28,31)
InChIKeyYNRWNRDWYZXDEW-UHFFFAOYSA-N
XLogP4.74
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The IUPAC name of N-[2-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide (CID 24791072) is N-[2-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide is Cc1ccc(CN2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)cc1C.
What is the InChIKey of N-[2-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The InChIKey is YNRWNRDWYZXDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-20-8-9-22(18-21(20)2)19-29-15-11-23(12-16-29)30-25(10-14-27-30)28-26(31)13-17-32-24-6-4-3-5-7-24/h3-10,14,18,23H,11-13,15-17,19H2,1-2H3,(H,28,31).
What are the key properties of N-[2-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
N-[2-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide has a molecular weight of 432.57 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide is sourced from PubChem (CID 24791072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).