N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide

C25H33FN2O3 — CID 26412098

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESO=C(CCc1ccco1)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1
InChIInChI=1S/C25H33FN2O3/c26-24-8-2-1-5-21(24)18-27-13-11-20(12-14-27)17-28(19-23-7-4-16-31-23)25(29)10-9-22-6-3-15-30-22/h1-3,5-6,8,15,20,23H,4,7,9-14,16-19H2/t23-/m1/s1
InChIKeyWTQNXZPYVMZAKP-HSZRJFAPSA-N
MW428.55 g/mol
LogP4.27
Rot. Bonds9

About N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide (PubChem CID 26412098) has the molecular formula C25H33FN2O3 and a molecular weight of 428.55 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
PubChem CID26412098
Molecular FormulaC25H33FN2O3
Molecular Weight428.55 g/mol
Exact Mass428.25
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESO=C(CCc1ccco1)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1
InChIInChI=1S/C25H33FN2O3/c26-24-8-2-1-5-21(24)18-27-13-11-20(12-14-27)17-28(19-23-7-4-16-31-23)25(29)10-9-22-6-3-15-30-22/h1-3,5-6,8,15,20,23H,4,7,9-14,16-19H2/t23-/m1/s1
InChIKeyWTQNXZPYVMZAKP-HSZRJFAPSA-N
XLogP4.27
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)but-3-enamide
CID 45171410
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 72880001
2-(3-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 45216465
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide
CID 26324074
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 97280461
1-N'-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-N'-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 45236449
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 45208136
2-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 97273079
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 45189592
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-oxido-N-[[(2R)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide
CID 26407799
N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 42214950
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide
CID 26391063

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide (CID 26412098) is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide is O=C(CCc1ccco1)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The InChIKey is WTQNXZPYVMZAKP-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H33FN2O3/c26-24-8-2-1-5-21(24)18-27-13-11-20(12-14-27)17-28(19-23-7-4-16-31-23)25(29)10-9-22-6-3-15-30-22/h1-3,5-6,8,15,20,23H,4,7,9-14,16-19H2/t23-/m1/s1.
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide has a molecular weight of 428.55 g/mol, XLogP of 4.27, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 26412098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).