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

C27H34N4O2 — CID 24790156

IUPACN-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
SMILESCOc1ccc(CN2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)c(C)c1C
InChIInChI=1S/C27H34N4O2/c1-20-21(2)25(33-3)11-10-23(20)19-30-17-14-24(15-18-30)31-26(13-16-28-31)29-27(32)12-9-22-7-5-4-6-8-22/h4-8,10-11,13,16,24H,9,12,14-15,17-19H2,1-3H3,(H,29,32)
InChIKeyLEWSHVKWFHASTE-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.92
Rot. Bonds8

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

N-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide (PubChem CID 24790156) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
PubChem CID24790156
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC NameN-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
SMILESCOc1ccc(CN2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)c(C)c1C
InChIInChI=1S/C27H34N4O2/c1-20-21(2)25(33-3)11-10-23(20)19-30-17-14-24(15-18-30)31-26(13-16-28-31)29-27(32)12-9-22-7-5-4-6-8-22/h4-8,10-11,13,16,24H,9,12,14-15,17-19H2,1-3H3,(H,29,32)
InChIKeyLEWSHVKWFHASTE-UHFFFAOYSA-N
XLogP4.92
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide (CID 24790156) is N-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide is COc1ccc(CN2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)c(C)c1C.
What is the InChIKey of N-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The InChIKey is LEWSHVKWFHASTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-20-21(2)25(33-3)11-10-23(20)19-30-17-14-24(15-18-30)31-26(13-16-28-31)29-27(32)12-9-22-7-5-4-6-8-22/h4-8,10-11,13,16,24H,9,12,14-15,17-19H2,1-3H3,(H,29,32).
What are the key properties of N-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
N-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide has a molecular weight of 446.60 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 24790156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).