3-(3-fluoro-4-methoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide

C20H23FN2O4 — CID 46420886

IUPAC3-(3-fluoro-4-methoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide
SMILESCOc1ccc(CCC(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1F
InChIInChI=1S/C20H23FN2O4/c1-26-18-4-2-14(12-17(18)21)3-5-19(24)22-16-6-9-23(10-7-16)20(25)15-8-11-27-13-15/h2,4,8,11-13,16H,3,5-7,9-10H2,1H3,(H,22,24)
InChIKeyVLHDJBMQHKXYCL-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.78
Rot. Bonds6

About 3-(3-fluoro-4-methoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide

3-(3-fluoro-4-methoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide (PubChem CID 46420886) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide
PubChem CID46420886
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide
SMILESCOc1ccc(CCC(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1F
InChIInChI=1S/C20H23FN2O4/c1-26-18-4-2-14(12-17(18)21)3-5-19(24)22-16-6-9-23(10-7-16)20(25)15-8-11-27-13-15/h2,4,8,11-13,16H,3,5-7,9-10H2,1H3,(H,22,24)
InChIKeyVLHDJBMQHKXYCL-UHFFFAOYSA-N
XLogP2.78
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229751
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556342
N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 51203874
N-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 108556529
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(2-methylpropoxy)propanamide
CID 46451709
N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 108556445
3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108555415
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 108556459
4-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethoxybenzamide
CID 38212968
3-(4-ethoxy-3-methoxyphenyl)-N-[1-(3-methylbenzoyl)piperidin-4-yl]propanamide
CID 108556522
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxy-4-prop-2-enoxybenzamide
CID 31398496
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-thiophen-2-ylpropanamide
CID 55957230

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide (CID 46420886) is 3-(3-fluoro-4-methoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide is COc1ccc(CCC(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is VLHDJBMQHKXYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-26-18-4-2-14(12-17(18)21)3-5-19(24)22-16-6-9-23(10-7-16)20(25)15-8-11-27-13-15/h2,4,8,11-13,16H,3,5-7,9-10H2,1H3,(H,22,24).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide?
3-(3-fluoro-4-methoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 374.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 46420886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).