3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-[5-methyl-2-(trifluoromethyl)furan-3-yl]propanamide

C23H28F3N3O3 — CID 58407734

IUPAC3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-[5-methyl-2-(trifluoromethyl)furan-3-yl]propanamide
SMILESCc1cc(NC(=O)CCc2ccc(OC3CCN(CC4CC4)CC3)nc2)c(C(F)(F)F)o1
InChIInChI=1S/C23H28F3N3O3/c1-15-12-19(22(31-15)23(24,25)26)28-20(30)6-4-16-5-7-21(27-13-16)32-18-8-10-29(11-9-18)14-17-2-3-17/h5,7,12-13,17-18H,2-4,6,8-11,14H2,1H3,(H,28,30)
InChIKeyLWJBSRLZTINXIB-UHFFFAOYSA-N
MW451.49 g/mol
LogP4.83
Rot. Bonds8

About 3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-[5-methyl-2-(trifluoromethyl)furan-3-yl]propanamide

3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-[5-methyl-2-(trifluoromethyl)furan-3-yl]propanamide (PubChem CID 58407734) has the molecular formula C23H28F3N3O3 and a molecular weight of 451.49 g/mol. Its IUPAC name is 3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-[5-methyl-2-(trifluoromethyl)furan-3-yl]propanamide.

Molecular Properties

Compound Name3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-[5-methyl-2-(trifluoromethyl)furan-3-yl]propanamide
PubChem CID58407734
Molecular FormulaC23H28F3N3O3
Molecular Weight451.49 g/mol
Exact Mass451.21
IUPAC Name3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-[5-methyl-2-(trifluoromethyl)furan-3-yl]propanamide
SMILESCc1cc(NC(=O)CCc2ccc(OC3CCN(CC4CC4)CC3)nc2)c(C(F)(F)F)o1
InChIInChI=1S/C23H28F3N3O3/c1-15-12-19(22(31-15)23(24,25)26)28-20(30)6-4-16-5-7-21(27-13-16)32-18-8-10-29(11-9-18)14-17-2-3-17/h5,7,12-13,17-18H,2-4,6,8-11,14H2,1H3,(H,28,30)
InChIKeyLWJBSRLZTINXIB-UHFFFAOYSA-N
XLogP4.83
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-[5-methyl-2-(trifluoromethyl)furan-3-yl]propanamide?
The IUPAC name of 3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-[5-methyl-2-(trifluoromethyl)furan-3-yl]propanamide (CID 58407734) is 3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-[5-methyl-2-(trifluoromethyl)furan-3-yl]propanamide.
What is the SMILES notation for 3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-[5-methyl-2-(trifluoromethyl)furan-3-yl]propanamide?
The canonical SMILES for 3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-[5-methyl-2-(trifluoromethyl)furan-3-yl]propanamide is Cc1cc(NC(=O)CCc2ccc(OC3CCN(CC4CC4)CC3)nc2)c(C(F)(F)F)o1.
What is the InChIKey of 3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-[5-methyl-2-(trifluoromethyl)furan-3-yl]propanamide?
The InChIKey is LWJBSRLZTINXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O3/c1-15-12-19(22(31-15)23(24,25)26)28-20(30)6-4-16-5-7-21(27-13-16)32-18-8-10-29(11-9-18)14-17-2-3-17/h5,7,12-13,17-18H,2-4,6,8-11,14H2,1H3,(H,28,30).
What are the key properties of 3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-[5-methyl-2-(trifluoromethyl)furan-3-yl]propanamide?
3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-[5-methyl-2-(trifluoromethyl)furan-3-yl]propanamide has a molecular weight of 451.49 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]-N-[5-methyl-2-(trifluoromethyl)furan-3-yl]propanamide is sourced from PubChem (CID 58407734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).