4-(3-chloro-2-fluorophenyl)-3-(3-methoxypropoxy)-N-piperidin-3-yl-N-propan-2-ylbenzamide

C25H32ClFN2O3 — CID 42634826

IUPAC4-(3-chloro-2-fluorophenyl)-3-(3-methoxypropoxy)-N-piperidin-3-yl-N-propan-2-ylbenzamide
SMILESCOCCCOc1cc(C(=O)N(C(C)C)C2CCCNC2)ccc1-c1cccc(Cl)c1F
InChIInChI=1S/C25H32ClFN2O3/c1-17(2)29(19-7-5-12-28-16-19)25(30)18-10-11-20(21-8-4-9-22(26)24(21)27)23(15-18)32-14-6-13-31-3/h4,8-11,15,17,19,28H,5-7,12-14,16H2,1-3H3
InChIKeyFHRZUCOEARMCFE-UHFFFAOYSA-N
MW462.99 g/mol
LogP5.16
Rot. Bonds9

About 4-(3-chloro-2-fluorophenyl)-3-(3-methoxypropoxy)-N-piperidin-3-yl-N-propan-2-ylbenzamide

4-(3-chloro-2-fluorophenyl)-3-(3-methoxypropoxy)-N-piperidin-3-yl-N-propan-2-ylbenzamide (PubChem CID 42634826) has the molecular formula C25H32ClFN2O3 and a molecular weight of 462.99 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)-3-(3-methoxypropoxy)-N-piperidin-3-yl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)-3-(3-methoxypropoxy)-N-piperidin-3-yl-N-propan-2-ylbenzamide
PubChem CID42634826
Molecular FormulaC25H32ClFN2O3
Molecular Weight462.99 g/mol
Exact Mass462.21
IUPAC Name4-(3-chloro-2-fluorophenyl)-3-(3-methoxypropoxy)-N-piperidin-3-yl-N-propan-2-ylbenzamide
SMILESCOCCCOc1cc(C(=O)N(C(C)C)C2CCCNC2)ccc1-c1cccc(Cl)c1F
InChIInChI=1S/C25H32ClFN2O3/c1-17(2)29(19-7-5-12-28-16-19)25(30)18-10-11-20(21-8-4-9-22(26)24(21)27)23(15-18)32-14-6-13-31-3/h4,8-11,15,17,19,28H,5-7,12-14,16H2,1-3H3
InChIKeyFHRZUCOEARMCFE-UHFFFAOYSA-N
XLogP5.16
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.99
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-(3-methoxypropoxy)-N-[(3S)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 24998743
4-cyclohexyloxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 59223919
3-(3-methoxypropoxy)-4-phenylmethoxy-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 59224193
4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 24997196
ethane;3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 143814335
4-hydroxy-3-(4-methoxybutyl)-N-piperidin-3-yl-N-propan-2-ylbenzamide
CID 143814264
[4-(2-methoxyethoxy)-2-[[(3R)-piperidin-3-yl]-propan-2-ylcarbamoyl]quinolin-8-yl] 4-fluorobenzoate
CID 71609916
8-fluoro-4-(3-methoxypropoxy)-6-methyl-N-piperidin-3-yl-N-propan-2-ylquinoline-2-carboxamide;dihydrochloride
CID 139582045
5-(3-methoxypropoxy)-2-phenyl-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-4-propan-2-yloxybenzamide;hydrochloride
CID 68662611
[4-(2-methoxyethoxy)-2-[[(3R)-piperidin-3-yl]-propan-2-ylcarbamoyl]quinolin-8-yl] cyclopentanecarboxylate
CID 71609914
4-methoxy-3-(3-methoxypropoxy)-N-(4-phenylpiperidin-3-yl)-N-propan-2-ylbenzamide
CID 70910455
3-[4-chloro-2-methoxy-5-[[(3R)-piperidin-3-yl]-propan-2-ylcarbamoyl]phenoxy]propanoic acid;hydrochloride
CID 68661680

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)-3-(3-methoxypropoxy)-N-piperidin-3-yl-N-propan-2-ylbenzamide?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)-3-(3-methoxypropoxy)-N-piperidin-3-yl-N-propan-2-ylbenzamide (CID 42634826) is 4-(3-chloro-2-fluorophenyl)-3-(3-methoxypropoxy)-N-piperidin-3-yl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-3-(3-methoxypropoxy)-N-piperidin-3-yl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-3-(3-methoxypropoxy)-N-piperidin-3-yl-N-propan-2-ylbenzamide is COCCCOc1cc(C(=O)N(C(C)C)C2CCCNC2)ccc1-c1cccc(Cl)c1F.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-3-(3-methoxypropoxy)-N-piperidin-3-yl-N-propan-2-ylbenzamide?
The InChIKey is FHRZUCOEARMCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClFN2O3/c1-17(2)29(19-7-5-12-28-16-19)25(30)18-10-11-20(21-8-4-9-22(26)24(21)27)23(15-18)32-14-6-13-31-3/h4,8-11,15,17,19,28H,5-7,12-14,16H2,1-3H3.
What are the key properties of 4-(3-chloro-2-fluorophenyl)-3-(3-methoxypropoxy)-N-piperidin-3-yl-N-propan-2-ylbenzamide?
4-(3-chloro-2-fluorophenyl)-3-(3-methoxypropoxy)-N-piperidin-3-yl-N-propan-2-ylbenzamide has a molecular weight of 462.99 g/mol, XLogP of 5.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenyl)-3-(3-methoxypropoxy)-N-piperidin-3-yl-N-propan-2-ylbenzamide is sourced from PubChem (CID 42634826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).