N-[4-(difluoromethoxy)phenyl]-2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propanamide

C25H33F2N5O2 — CID 47088634

IUPACN-[4-(difluoromethoxy)phenyl]-2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(OC(F)F)cc1)N1CCCC(CN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C25H33F2N5O2/c1-19(24(33)29-21-7-9-22(10-8-21)34-25(26)27)32-12-4-5-20(18-32)17-30-13-15-31(16-14-30)23-6-2-3-11-28-23/h2-3,6-11,19-20,25H,4-5,12-18H2,1H3,(H,29,33)
InChIKeyODMUHLLGFBKAMT-UHFFFAOYSA-N
MW473.57 g/mol
LogP3.54
Rot. Bonds8

About N-[4-(difluoromethoxy)phenyl]-2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propanamide

N-[4-(difluoromethoxy)phenyl]-2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propanamide (PubChem CID 47088634) has the molecular formula C25H33F2N5O2 and a molecular weight of 473.57 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propanamide
PubChem CID47088634
Molecular FormulaC25H33F2N5O2
Molecular Weight473.57 g/mol
Exact Mass473.26
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(OC(F)F)cc1)N1CCCC(CN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C25H33F2N5O2/c1-19(24(33)29-21-7-9-22(10-8-21)34-25(26)27)32-12-4-5-20(18-32)17-30-13-15-31(16-14-30)23-6-2-3-11-28-23/h2-3,6-11,19-20,25H,4-5,12-18H2,1H3,(H,29,33)
InChIKeyODMUHLLGFBKAMT-UHFFFAOYSA-N
XLogP3.54
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(difluoromethoxy)phenyl]-2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propanamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propanamide (CID 47088634) is N-[4-(difluoromethoxy)phenyl]-2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propanamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propanamide is CC(C(=O)Nc1ccc(OC(F)F)cc1)N1CCCC(CN2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propanamide?
The InChIKey is ODMUHLLGFBKAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F2N5O2/c1-19(24(33)29-21-7-9-22(10-8-21)34-25(26)27)32-12-4-5-20(18-32)17-30-13-15-31(16-14-30)23-6-2-3-11-28-23/h2-3,6-11,19-20,25H,4-5,12-18H2,1H3,(H,29,33).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propanamide?
N-[4-(difluoromethoxy)phenyl]-2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propanamide has a molecular weight of 473.57 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 47088634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).