N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-3,4-dimethoxybenzamide

C23H27FN2O4 — CID 108935670

IUPACN-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCN(C(=O)CCc3ccc(F)cc3)CC2)cc1OC
InChIInChI=1S/C23H27FN2O4/c1-29-20-9-6-17(15-21(20)30-2)23(28)25-19-11-13-26(14-12-19)22(27)10-5-16-3-7-18(24)8-4-16/h3-4,6-9,15,19H,5,10-14H2,1-2H3,(H,25,28)
InChIKeyHJZKFHJJBRPNEC-UHFFFAOYSA-N
MW414.48 g/mol
LogP3.20
Rot. Bonds7

About N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-3,4-dimethoxybenzamide

N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-3,4-dimethoxybenzamide (PubChem CID 108935670) has the molecular formula C23H27FN2O4 and a molecular weight of 414.48 g/mol. Its IUPAC name is N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-3,4-dimethoxybenzamide
PubChem CID108935670
Molecular FormulaC23H27FN2O4
Molecular Weight414.48 g/mol
Exact Mass414.20
IUPAC NameN-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCN(C(=O)CCc3ccc(F)cc3)CC2)cc1OC
InChIInChI=1S/C23H27FN2O4/c1-29-20-9-6-17(15-21(20)30-2)23(28)25-19-11-13-26(14-12-19)22(27)10-5-16-3-7-18(24)8-4-16/h3-4,6-9,15,19H,5,10-14H2,1-2H3,(H,25,28)
InChIKeyHJZKFHJJBRPNEC-UHFFFAOYSA-N
XLogP3.20
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2,4-difluorobenzamide
CID 108566527
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-4-(dimethylamino)benzamide
CID 108557972
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-methoxybenzamide
CID 108549245
N-[1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108935704
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108559154
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557870
N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47071577
4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide
CID 108549141
N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2-fluorobenzamide
CID 108549384
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554742
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-phenylacetamide
CID 108551307
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108555048

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-3,4-dimethoxybenzamide (CID 108935670) is N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NC2CCN(C(=O)CCc3ccc(F)cc3)CC2)cc1OC.
What is the InChIKey of N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-3,4-dimethoxybenzamide?
The InChIKey is HJZKFHJJBRPNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O4/c1-29-20-9-6-17(15-21(20)30-2)23(28)25-19-11-13-26(14-12-19)22(27)10-5-16-3-7-18(24)8-4-16/h3-4,6-9,15,19H,5,10-14H2,1-2H3,(H,25,28).
What are the key properties of N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-3,4-dimethoxybenzamide?
N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-3,4-dimethoxybenzamide has a molecular weight of 414.48 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 108935670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).