1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxamide

C16H21FN2O3 — CID 51275806

IUPAC1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxamide
SMILESCOc1ccc(CCC(=O)N2CCC(C(N)=O)CC2)cc1F
InChIInChI=1S/C16H21FN2O3/c1-22-14-4-2-11(10-13(14)17)3-5-15(20)19-8-6-12(7-9-19)16(18)21/h2,4,10,12H,3,5-9H2,1H3,(H2,18,21)
InChIKeyQTRLTOKVMATCCZ-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.49
Rot. Bonds5

About 1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxamide

1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxamide (PubChem CID 51275806) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is 1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxamide
PubChem CID51275806
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxamide
SMILESCOc1ccc(CCC(=O)N2CCC(C(N)=O)CC2)cc1F
InChIInChI=1S/C16H21FN2O3/c1-22-14-4-2-11(10-13(14)17)3-5-15(20)19-8-6-12(7-9-19)16(18)21/h2,4,10,12H,3,5-9H2,1H3,(H2,18,21)
InChIKeyQTRLTOKVMATCCZ-UHFFFAOYSA-N
XLogP1.49
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 75405723
1-(4-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 119373451
1-(4-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one;hydrochloride
CID 119373450
3-(3-fluoro-4-methoxyphenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 51324275
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one;hydrochloride
CID 119517359
3-(3-fluoro-4-methoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119543300
1-(3-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 119377862
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 119635594
1-(3-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one;hydrochloride
CID 119377861
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 86923254
1-[2-(aminomethyl)piperidin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one;hydrochloride
CID 119466699
1-[3-(1-aminoethyl)piperidin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 119593343

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxamide (CID 51275806) is 1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxamide is COc1ccc(CCC(=O)N2CCC(C(N)=O)CC2)cc1F.
What is the InChIKey of 1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxamide?
The InChIKey is QTRLTOKVMATCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-22-14-4-2-11(10-13(14)17)3-5-15(20)19-8-6-12(7-9-19)16(18)21/h2,4,10,12H,3,5-9H2,1H3,(H2,18,21).
What are the key properties of 1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxamide?
1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxamide has a molecular weight of 308.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 51275806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).