N-(3,5-dimethoxyphenyl)-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide

C23H27FN2O4 — CID 91903818

IUPACN-(3,5-dimethoxyphenyl)-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
SMILESCOc1cc(NC(=O)CCC2CCN(C(=O)c3ccccc3F)CC2)cc(OC)c1
InChIInChI=1S/C23H27FN2O4/c1-29-18-13-17(14-19(15-18)30-2)25-22(27)8-7-16-9-11-26(12-10-16)23(28)20-5-3-4-6-21(20)24/h3-6,13-16H,7-12H2,1-2H3,(H,25,27)
InChIKeyJVPGZVYXAKHQKF-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.11
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide

N-(3,5-dimethoxyphenyl)-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide (PubChem CID 91903818) has the molecular formula C23H27FN2O4 and a molecular weight of 414.48 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
PubChem CID91903818
Molecular FormulaC23H27FN2O4
Molecular Weight414.48 g/mol
Exact Mass414.20
IUPAC NameN-(3,5-dimethoxyphenyl)-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
SMILESCOc1cc(NC(=O)CCC2CCN(C(=O)c3ccccc3F)CC2)cc(OC)c1
InChIInChI=1S/C23H27FN2O4/c1-29-18-13-17(14-19(15-18)30-2)25-22(27)8-7-16-9-11-26(12-10-16)23(28)20-5-3-4-6-21(20)24/h3-6,13-16H,7-12H2,1-2H3,(H,25,27)
InChIKeyJVPGZVYXAKHQKF-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
CID 91903809
1-(2-fluorobenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 17019052
(2-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977657
N-(3-methoxyphenyl)-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide
CID 72881305
N-(3,5-dimethoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62210135
3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide
CID 91913390
3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
CID 25453412
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(oxan-4-yl)propanamide
CID 127366432
3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 91903819
N-(3-methoxyphenyl)-3-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 72883906
3-(1-benzoylpiperidin-4-yl)-N-(3-fluorophenyl)propanamide
CID 91913383
[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-fluorophenyl)methanone
CID 53038002

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide (CID 91903818) is N-(3,5-dimethoxyphenyl)-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide is COc1cc(NC(=O)CCC2CCN(C(=O)c3ccccc3F)CC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide?
The InChIKey is JVPGZVYXAKHQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O4/c1-29-18-13-17(14-19(15-18)30-2)25-22(27)8-7-16-9-11-26(12-10-16)23(28)20-5-3-4-6-21(20)24/h3-6,13-16H,7-12H2,1-2H3,(H,25,27).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide?
N-(3,5-dimethoxyphenyl)-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide has a molecular weight of 414.48 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 91903818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).