4-[2-fluoro-5-(2-phenylethyl)phenyl]-3-(3-methoxypropoxy)-N-piperidin-3-ylbenzamide

C30H35FN2O3 — CID 143814287

IUPAC4-[2-fluoro-5-(2-phenylethyl)phenyl]-3-(3-methoxypropoxy)-N-piperidin-3-ylbenzamide
SMILESCOCCCOc1cc(C(=O)NC2CCCNC2)ccc1-c1cc(CCc2ccccc2)ccc1F
InChIInChI=1S/C30H35FN2O3/c1-35-17-6-18-36-29-20-24(30(34)33-25-9-5-16-32-21-25)13-14-26(29)27-19-23(12-15-28(27)31)11-10-22-7-3-2-4-8-22/h2-4,7-8,12-15,19-20,25,32H,5-6,9-11,16-18,21H2,1H3,(H,33,34)
InChIKeyVHBZVYPWHDMBAO-UHFFFAOYSA-N
MW490.62 g/mol
LogP5.18
Rot. Bonds11

About 4-[2-fluoro-5-(2-phenylethyl)phenyl]-3-(3-methoxypropoxy)-N-piperidin-3-ylbenzamide

4-[2-fluoro-5-(2-phenylethyl)phenyl]-3-(3-methoxypropoxy)-N-piperidin-3-ylbenzamide (PubChem CID 143814287) has the molecular formula C30H35FN2O3 and a molecular weight of 490.62 g/mol. Its IUPAC name is 4-[2-fluoro-5-(2-phenylethyl)phenyl]-3-(3-methoxypropoxy)-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name4-[2-fluoro-5-(2-phenylethyl)phenyl]-3-(3-methoxypropoxy)-N-piperidin-3-ylbenzamide
PubChem CID143814287
Molecular FormulaC30H35FN2O3
Molecular Weight490.62 g/mol
Exact Mass490.26
IUPAC Name4-[2-fluoro-5-(2-phenylethyl)phenyl]-3-(3-methoxypropoxy)-N-piperidin-3-ylbenzamide
SMILESCOCCCOc1cc(C(=O)NC2CCCNC2)ccc1-c1cc(CCc2ccccc2)ccc1F
InChIInChI=1S/C30H35FN2O3/c1-35-17-6-18-36-29-20-24(30(34)33-25-9-5-16-32-21-25)13-14-26(29)27-19-23(12-15-28(27)31)11-10-22-7-3-2-4-8-22/h2-4,7-8,12-15,19-20,25,32H,5-6,9-11,16-18,21H2,1H3,(H,33,34)
InChIKeyVHBZVYPWHDMBAO-UHFFFAOYSA-N
XLogP5.18
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.62
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-methoxypropoxy)-4-(2-phenylethyl)-N-[(3R)-piperidin-3-yl]benzamide
CID 70954342
4-fluoro-3-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 95031837
4-butoxy-3-ethoxy-N-piperidin-3-ylbenzamide
CID 119426765
3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 99849634
N-piperidin-3-ylbenzamide
CID 22017045
4-amino-3-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 89423886
N-(azepan-3-yl)-3-bromo-4-fluorobenzamide
CID 114020396
2,2-dimethyl-5-phenyl-N-piperidin-3-ylpentanamide;hydrochloride
CID 119424602
4-(2-amino-2-oxoethoxy)-3-methoxy-N-piperidin-3-ylbenzamide
CID 119425018
tert-butyl N-[(3R)-piperidin-3-yl]carbamate;4-fluoro-3-methoxybenzoic acid
CID 159864662
3-[(4-chlorophenyl)methoxy]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427852
3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-piperidin-3-ylbenzamide
CID 119425199

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-5-(2-phenylethyl)phenyl]-3-(3-methoxypropoxy)-N-piperidin-3-ylbenzamide?
The IUPAC name of 4-[2-fluoro-5-(2-phenylethyl)phenyl]-3-(3-methoxypropoxy)-N-piperidin-3-ylbenzamide (CID 143814287) is 4-[2-fluoro-5-(2-phenylethyl)phenyl]-3-(3-methoxypropoxy)-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 4-[2-fluoro-5-(2-phenylethyl)phenyl]-3-(3-methoxypropoxy)-N-piperidin-3-ylbenzamide?
The canonical SMILES for 4-[2-fluoro-5-(2-phenylethyl)phenyl]-3-(3-methoxypropoxy)-N-piperidin-3-ylbenzamide is COCCCOc1cc(C(=O)NC2CCCNC2)ccc1-c1cc(CCc2ccccc2)ccc1F.
What is the InChIKey of 4-[2-fluoro-5-(2-phenylethyl)phenyl]-3-(3-methoxypropoxy)-N-piperidin-3-ylbenzamide?
The InChIKey is VHBZVYPWHDMBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN2O3/c1-35-17-6-18-36-29-20-24(30(34)33-25-9-5-16-32-21-25)13-14-26(29)27-19-23(12-15-28(27)31)11-10-22-7-3-2-4-8-22/h2-4,7-8,12-15,19-20,25,32H,5-6,9-11,16-18,21H2,1H3,(H,33,34).
What are the key properties of 4-[2-fluoro-5-(2-phenylethyl)phenyl]-3-(3-methoxypropoxy)-N-piperidin-3-ylbenzamide?
4-[2-fluoro-5-(2-phenylethyl)phenyl]-3-(3-methoxypropoxy)-N-piperidin-3-ylbenzamide has a molecular weight of 490.62 g/mol, XLogP of 5.18, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-5-(2-phenylethyl)phenyl]-3-(3-methoxypropoxy)-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 143814287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).